43192440
  -OEChem-04252412532D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000   -0.3373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.4179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.8794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    2.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303    1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432    1.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    1.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0226    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6259    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8440    2.9240    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 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 16  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
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43192440

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
259

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQywILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H15ClN2O/c1-2-3-6-14-11-9-7-8(13)4-5-10(9)15-12(11)16/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
WAUCZEXVFORXSZ-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>
CCCCNC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCNC1C2=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  14  8
13  15  8
14  15  8
5  3  3
6  11  8
6  8  8
8  13  8

$$$$