69749485
  -OEChem-05062423372D

 35 37  0     0  0  0  0  0  0999 V2000
    2.0000    1.8108    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    1.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047    2.4370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707   -2.6018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    0.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707    0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387    0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707   -0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    1.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    2.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    1.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    3.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773    2.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992    3.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813    0.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828    0.9808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266    0.9808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    0.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0416   -1.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828   -1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -0.4941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281   -0.4941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266   -1.1844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941   -1.9941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2926   -2.6844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3691    2.9386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    0.6619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    3.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707   -3.2218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9077   -2.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861    3.4754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 12  2  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69749485

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBAAAAHgIQAAAADwrBmCQwwILAAACIAiVSUACCAAAhBwAIiIEAZogIIDLBl5GEIAhglADIyAcciMCPgABAIAACAACAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(aminomethyl)-5'-chloro-spiro[cyclohexane-1,3'-indoline]-2'-one

> <PUBCHEM_IUPAC_CAS_NAME>
4'-(aminomethyl)-5-chloro-2-spiro[1H-indole-3,1'-cyclohexane]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4&apos;-(aminomethyl)-5-chlorospiro[1<I>H</I>-indole-3,1&apos;-cyclohexane]-2-one

> <PUBCHEM_IUPAC_NAME>
4'-(aminomethyl)-5-chlorospiro[1H-indole-3,1'-cyclohexane]-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4'-(aminomethyl)-5-chloranyl-spiro[1H-indole-3,1'-cyclohexane]-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(aminomethyl)-5'-chloro-spiro[cyclohexane-1,3'-indoline]-2'-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H17ClN2O/c15-10-1-2-12-11(7-10)14(13(18)17-12)5-3-9(8-16)4-6-14/h1-2,7,9H,3-6,8,16H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
ZYKOOPUSOUHOKF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
264.1029409

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
264.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2(CCC1CN)C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2(CCC1CN)C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.1029409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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
11  15  8
14  16  8
15  17  8
16  18  8
17  18  8

$$$$