4020
  -OEChem-10191521242D

 33 36  0     1  0  0  0  0  0999 V2000
    8.8316    1.6797    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -0.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8370   -2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.4436    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0274    0.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1391   -1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784    0.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8311   -2.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1863    1.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7216    0.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    2.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    0.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8805    1.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7051   -1.3468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -0.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7664   -2.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -2.1680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    1.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -1.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904    1.7536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7256    2.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5927   -0.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    1.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.1022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    2.6463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1334   -0.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4020

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
419

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAEAAAAAAAAAAAAAAAAAWIAAAAwYAAAAAAQAFgBQAAAHgIACAAADA7BmCQxAIMAAgCgAiJiJACCAAEgBQAJiAAoDpgIZqKBmxGUcAhkwAGImAewwOAOhAAAAAAQAAAIAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

> <PUBCHEM_IUPAC_NAME>
5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(4-chlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-chlorophenyl)-2,3-dihydroimidaz[1,2-b]isoindol-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
ZPXSCAKFGYXMGA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
284.071641

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
284.74022

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O

> <PUBCHEM_CACTVS_TPSA>
35.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.071641

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  14  8
10  15  8
12  16  8
13  17  8
14  18  8
15  19  8
16  17  8
18  20  8
19  20  8
5  2  3
6  12  8
6  9  8
9  13  8

$$$$