43298352
  -OEChem-04272400542D

 32 34  0     1  0  0  0  0  0999 V2000
    2.0000   -0.4311    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.4311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.2358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0359    1.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5835    2.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6264    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    1.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164    1.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5888    2.2139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4112    2.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    2.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364    3.1057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    3.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -0.0893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.7856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.8251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 27  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43298352

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAABgAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADSrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15ClN2O/c14-9-4-5-11-10(6-9)12(13(17)16-11)15-7-8-2-1-3-8/h4-6,8,12,15H,1-3,7H2,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
RBVVVZSEGAHGMX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
250.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C1)CNC2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(C1)CNC2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  13  8
11  14  8
13  15  8
14  16  8
15  17  8
16  17  8
10  3  3

$$$$