Mrv1652309122201312D          

 15 17  0  0  1  0            999 V2000
   -0.5033   -1.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962    0.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7286    1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284    1.1543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1529    0.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557    1.7262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2404    2.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023    1.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9882    0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693    0.3836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7753   -0.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4868   -0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144   -1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  3  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0321364

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CC[C@H]2[C@]11CC[C@H](C1)C(=C)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13+,15-/m0/s1

> <INCHI_KEY>
RFSYBMDOYOBTCL-ZGFBFQLVSA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.468709310685185

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,5S,8R)-2,6,6-trimethyl-7-methylidenetricyclo[6.2.1.0^{1,5}]undecane

> <JCHEM_LOGP>
4.159091856666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
64.6219

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5S,8R)-2,6,6-trimethyl-7-methylidenetricyclo[6.2.1.0^{1,5}]undecane

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0321364

> <GENERIC_NAME>
(+)-prezizene

$$$$