25058296
  -OEChem-05112402422D

 39 41  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -0.0786    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.8106    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4939    0.9214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.7493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3834   -0.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819   -1.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2585    1.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4614    1.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4614   -1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2585   -1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3366   -0.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9380    0.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9380   -1.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3366   -0.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -1.3387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8039    1.4584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    1.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    2.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    2.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 33  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25058296

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB8AAAHwAQCAAADEyBnhAywPLJkgCgAyRiRASCgCAhAiAImSAwbJgKJuLAkZGEcAhk0AHY2AeQ0OEOwAAAQAACAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[3-methyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
1-[3-methyl-6-(trifluoromethyl)-1H-indol-2-yl]-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[3-methyl-6-(trifluoromethyl)-1<I>H</I>-indol-2-yl]cyclohexan-1-ol

> <PUBCHEM_IUPAC_NAME>
1-[3-methyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[3-methyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[3-methyl-6-(trifluoromethyl)-1H-indol-2-yl]cyclohexanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18F3NO/c1-10-12-6-5-11(16(17,18)19)9-13(12)20-14(10)15(21)7-3-2-4-8-15/h5-6,9,20-21H,2-4,7-8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
RCBVWQVDPCQHPJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
297.13404868

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18F3NO

> <PUBCHEM_MOLECULAR_WEIGHT>
297.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(NC2=C1C=CC(=C2)C(F)(F)F)C3(CCCCC3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(NC2=C1C=CC(=C2)C(F)(F)F)C3(CCCCC3)O

> <PUBCHEM_CACTVS_TPSA>
36

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.13404868

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
12  13  8
13  14  8
14  15  8
14  18  8
15  17  8
17  19  8
18  20  8
19  20  8
5  12  8
5  15  8

$$$$