Mrv2104 03172315552D          

 11 12  0  0  0  0            999 V2000
    0.4369    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775   -1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775    0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -0.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921    0.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216   -0.9810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065   -1.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  1  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
PHUB002813

> <DATABASE_NAME>
phytohub

> <SMILES>
CC1CCC2=C(C1)OC=C2C

> <INCHI_IDENTIFIER>
InChI=1/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3

> <INCHI_KEY>
YGWKXXYGDYYFJU-UHFFFAOYNA-N

> <FORMULA>
C10H14O

> <MOLECULAR_WEIGHT>
150.221

> <EXACT_MASS>
150.104465071

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
2.3200921529646631e-10

> <JCHEM_AVERAGE_POLARIZABILITY>
18.041643962937055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran

> <JCHEM_LOGP>
3.130279691666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6344947646940233

> <JCHEM_POLAR_SURFACE_AREA>
13.14

> <JCHEM_REFRACTIVITY>
45.6749

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3,9-epoxy-p-mentha-3,8-diene

> <JCHEM_VEBER_RULE>
1

$$$$