Mrv1652303202018592D          

 16 18  0  0  0  0            999 V2000
    4.2378    2.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4244    2.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    2.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589    1.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    3.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    4.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    3.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307    3.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0650    2.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3682    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3628    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3970    3.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997    3.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371    3.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
  7 16  2  0  0  0  0
  2 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000762

> <DATABASE_NAME>
CDB

> <SMILES>
OC1=CC(O)=C2C(CCC22CCCCC2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H18O2/c15-11-8-10-4-7-14(5-2-1-3-6-14)13(10)12(16)9-11/h8-9,15-16H,1-7H2

> <INCHI_KEY>
DJMJKPIOHKKBLO-UHFFFAOYSA-N

> <FORMULA>
C14H18O2

> <MOLECULAR_WEIGHT>
218.296

> <EXACT_MASS>
218.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
24.687725707517007

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2',3'-dihydrospiro[cyclohexane-1,1'-indene]-5',7'-diol

> <ALOGPS_LOGP>
3.71

> <JCHEM_LOGP>
3.8308470223333337

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.107118382539653

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.72700896653628

> <JCHEM_PKA_STRONGEST_BASIC>
-5.235528994596074

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
63.9255

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2',3'-dihydrospiro[cyclohexane-1,1'-indene]-5',7'-diol

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000762

> <GENERIC_NAME>
5,7-Dihydroxyindan-1-spiro-cyclohexane

$$$$