Mrv1652309272007472D          

 10 11  0  0  0  0            999 V2000
 9998.3223 9999.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8650 9999.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.344810000.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7176 9999.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.291710000.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.577210000.3928    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.5772 9999.5677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.2917 9999.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0062 9999.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.006210000.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  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  2  0  0  0  0
  9  4  1  0  0  0  0
  6  2  1  6  0  0  0
  7  2  1  6  0  0  0
M  END
> <DATABASE_ID>
CHEM028722

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC[C@@H]2[C@H](C1)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1

> <INCHI_KEY>
BQOFWKZOCNGFEC-BDAKNGLRSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.238

> <EXACT_MASS>
136.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.280605059297645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene

> <ALOGPS_LOGP>
3.64

> <JCHEM_LOGP>
2.801661446333333

> <ALOGPS_LOGS>
-2.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
44.722300000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-delta(3)-carene

> <JCHEM_VEBER_RULE>
1

> <NAME>
(+)-alpha-Carene

> <CAS>
498-15-7

$$$$