43190096
  -OEChem-05132403512D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000    0.2410    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.7590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408    0.6132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    1.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367    2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548    2.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398    0.0441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9154   -0.0033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    0.8723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  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 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43190096

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
257

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQywILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13ClN2O/c1-6(2)13-10-8-5-7(12)3-4-9(8)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
PCJVCYRZHZRZCG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
224.0716407

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
224.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
224.0716407

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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
13  15  8
14  15  8
5  3  3
6  10  8
6  8  8
8  13  8

$$$$