54696205
  -OEChem-05092412202D

 33 35  0     0  0  0  0  0  0999 V2000
    2.0000    0.3184    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3697   -2.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0094    0.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -0.3079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    0.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0925    2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169    2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3291    0.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    0.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6897   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    0.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773    0.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3764   -1.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    1.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4569    2.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5909    2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4185    2.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5525    2.5416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4153    1.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    1.4673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    1.4673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861   -1.3462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9141   -2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7895   -2.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8388   -1.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1987    0.9088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 33  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  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 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54696205

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
506

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAEAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAFgBAAAAHgIACAAADg6BmCAywIMAAgCIAiVSUACCAAAhJwAIiAEAZsgIJCLBk5GEMAhghADI2QcQgMAPgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-8-hydroxy-7,10,10-trimethyl-pyrido[1,2-a]indol-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-8-hydroxy-7,10,10-trimethyl-6-pyrido[1,2-a]indolone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-8-hydroxy-7,10,10-trimethylpyrido[1,2-a]indol-6-one

> <PUBCHEM_IUPAC_NAME>
2-chloro-8-hydroxy-7,10,10-trimethylpyrido[1,2-a]indol-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-7,10,10-trimethyl-8-oxidanyl-pyrido[1,2-a]indol-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-8-hydroxy-7,10,10-trimethyl-pyrid[1,2-a]indol-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14ClNO2/c1-8-12(18)7-13-15(2,3)10-6-9(16)4-5-11(10)17(13)14(8)19/h4-7,18H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
IYGPTHODBQXSGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
275.0713064

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14ClNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
275.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C2C(C3=C(N2C1=O)C=CC(=C3)Cl)(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C2C(C3=C(N2C1=O)C=CC(=C3)Cl)(C)C)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
275.0713064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
12  17  8
13  15  8
14  18  8
15  16  8
17  18  8
4  13  8
4  6  8
6  11  8
7  12  8
7  8  8
8  14  8

$$$$