70102669
  -OEChem-04242400412D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000    0.1379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4798    0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    2.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408    0.5101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    0.0275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   -0.2202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    2.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5004   -0.0583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0936    0.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490    2.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8914    2.8314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374    1.2198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730    1.9997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70102669

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBAAAAHgIQAAAADQqBmCAwwILAAACIAiVSUACCAAAhBwAIiAEAZsgIIDLBl5GEIAhglADIyYcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3Z)-5-chloro-3-(cyclohexylmethylene)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3Z)-5-chloro-3-(cyclohexylmethylidene)-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>Z</I>)-5-chloro-3-(cyclohexylmethylidene)-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
(3Z)-5-chloro-3-(cyclohexylmethylidene)-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3Z)-5-chloranyl-3-(cyclohexylmethylidene)-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-5-chloro-3-(cyclohexylmethylene)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16ClNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,18)/b13-8-

> <PUBCHEM_IUPAC_INCHIKEY>
WAQLCKYKWZKVHR-JYRVWZFOSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
261.0920418

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
261.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C=C2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)/C=C\2/C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.0920418

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
12  14  8
12  15  8
14  16  8
15  17  8
16  18  8
17  18  8

$$$$