3973
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 40 43  0     0  0  0  0  0  0999 V2000
    0.2682    1.9479   -0.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2494    0.1258   -1.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1692   -3.8722   -1.9752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9649    0.1792   -1.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7533    1.5025   -2.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9150   -0.3517   -0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    0.7232    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3632    2.4870   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1063   -0.5380   -1.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132   -0.5077   -2.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4505   -1.9077   -2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348   -1.8986   -1.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907    0.2153   -2.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1968   -2.6521   -1.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480   -2.5718   -2.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5738    1.6979   -2.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7762   -0.4634   -2.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8004   -1.8471   -2.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5107    2.3886   -1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6244    2.4057   -3.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4902    3.7682   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6134    3.7852   -3.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5418    4.4653   -2.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725    1.8367   -2.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9528    1.4438   -2.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0301   -0.5970   -1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792   -1.2453   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129    0.8728    1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028    0.4047    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683    3.4375   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132    2.6430   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0934   -2.3958   -1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6732   -3.6511   -2.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852    0.0933   -2.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7277   -2.3622   -2.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2511    1.8453   -1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991    1.8757   -3.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2157    4.3045   -0.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784    4.3347   -3.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292    5.5449   -2.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3973

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
463

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHgAAAAAADAThmAYwBoMABACIAqBSQAACCAAkIgAIiAEMCMgOJjaENRqLMWAk4BGYqceIyOCOgAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-morpholino-8-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-morpholinyl)-8-phenyl-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME>
2-morpholin-4-yl-8-phenylchromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-morpholin-4-yl-8-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-morpholino-8-phenyl-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
CZQHHVNHHHRRDU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
307.120843

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
307.34318

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
307.120843

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  13  8
11  14  8
11  15  8
12  14  8
13  17  8
15  18  8
16  19  8
16  20  8
17  18  8
19  21  8
2  10  8
2  9  8
20  22  8
21  23  8
22  23  8
9  12  8

$$$$