Mrv1652303192001373D          

 16 17  0  0  0  0            999 V2000
   -1.8075   -0.1226    2.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    0.7353    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5350   -1.5550   -0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.9695   -0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6922    0.1273   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3712    0.0997    1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816   -0.3297   -1.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327    0.8763   -1.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -0.0829   -1.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221   -0.1058    0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1259   -0.0947    1.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -0.7762   -0.1159 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0827   -0.2788    0.4266 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6610   -0.6590    0.2404 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2346    0.6108   -0.7881 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8659   -1.0757    1.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
 15  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 13 10  1  1  0  0  0
 11 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000454

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CCC[C@]2(C)CC[C@H](C[C@@H]12)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1

> <INCHI_KEY>
FCSRUSQUAVXUKK-VNHYZAJKSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
27.553541371878275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol

> <ALOGPS_LOGP>
4.82

> <JCHEM_LOGP>
3.4737942476666666

> <ALOGPS_LOGS>
-3.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.317402208596036

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9103682739600937

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
69.43399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.32e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-eudesmol

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000454

> <GENERIC_NAME>
alpha-Eudesmol

$$$$