43371865
  -OEChem-05142414552D

 37 38  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
    6.8335    0.6241    0.0000 C   0  0  3  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
    5.5443   -0.5326    0.0000 C   0  0  3  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
    4.5981   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.1202    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
    4.5981   -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
    8.7905    1.0366    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
    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
    6.4194    1.0856    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
    5.1068   -0.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.2423    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
    7.0398   -0.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9154   -0.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    0.2939    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
    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
    8.3290    0.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2045    0.5751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2519    1.4506    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
    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
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  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 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 16  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  2  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43371865

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADSrBmCQywILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-(1,3-dimethylbutylamino)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(4-methylpentan-2-ylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(4-methylpentan-2-ylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(4-methylpentan-2-ylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(4-methylpentan-2-ylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(1,3-dimethylbutylamino)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H19ClN2O/c1-8(2)6-9(3)16-13-11-7-10(15)4-5-12(11)17-14(13)18/h4-5,7-9,13,16H,6H2,1-3H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
XHFQHUAOYBSPNJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
266.1185909

> <PUBCHEM_MOLECULAR_FORMULA>
C14H19ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
266.76

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

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

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.1185909

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
12  16  8
15  17  8
16  18  8
17  18  8
7  3  3
5  10  3
9  12  8
9  15  8

$$$$