1983
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0     0  0  0  0  0  0999 V2000
   -0.0184    1.3476    0.2750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -4.3566    1.7291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582   -4.1735   -0.0209 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387   -2.7745    0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0596   -2.1464    1.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1228   -2.0156   -1.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783   -0.7676    1.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040   -0.6368   -1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -0.0100    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793   -4.9047    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7412   -6.4033    0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -2.7361    2.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037   -2.5035   -2.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025   -4.6157   -0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   -0.2789    2.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694   -0.0464   -1.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -6.6703    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -6.7651    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -6.8583    1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571    1.7491    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1983

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
139

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAyxoLAAgCIACVSUACCAAAhIgAIiAAGbIgIJiLCkZOEcAhk1BHI2AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-hydroxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-hydroxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(4-hydroxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-hydroxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-hydroxyphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
RZVAJINKPMORJF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
151.063329

> <PUBCHEM_MOLECULAR_FORMULA>
C8H9NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
151.16256

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=C(C=C1)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=C(C=C1)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
151.063329

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  5  8
4  6  8
5  7  8
6  8  8
7  9  8
8  9  8

$$$$