43190369
  -OEChem-05092412412D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000   -0.1311    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.3264    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374    1.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505    1.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7293    2.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9948    2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    2.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43190369

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
270

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADSrBmCQywILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(2-methylpropylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(isobutylamino)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H15ClN2O/c1-7(2)6-14-11-9-5-8(13)3-4-10(9)15-12(11)16/h3-5,7,11,14H,6H2,1-2H3,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
NJOBTQRIPYHFEW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
238.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C12H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
238.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CNC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CNC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
11  15  8
14  16  8
15  16  8
5  3  3
6  11  8
6  9  8
9  14  8

$$$$