43190745
  -OEChem-04192415532D

 29 31  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2482    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.2482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8884    2.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379    2.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4435    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250    1.6973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3763    1.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1804    2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0253    3.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182    2.6217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.0936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.6259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.9685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.0041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43190745

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAGAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADSrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13ClN2O/c13-8-3-4-10-9(5-8)11(12(16)15-10)14-6-7-1-2-7/h3-5,7,11,14H,1-2,6H2,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
RLBWVUNXQPLVDF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
236.0716407

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
236.70

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1CNC2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1CNC2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.0716407

> <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>
10  12  8
10  13  8
12  14  8
13  15  8
14  16  8
15  16  8
9  3  3

$$$$