Mrv1652303102016532D          

  6  6  0  0  0  0            999 V2000
   -0.2471    0.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2471   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0721    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB012718

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=CC=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

> <INCHI_KEY>
VQKFNUFAXTZWDK-UHFFFAOYSA-N

> <FORMULA>
C5H6O

> <MOLECULAR_WEIGHT>
82.1005

> <EXACT_MASS>
82.041864814

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.847867297264314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methylfuran

> <ALOGPS_LOGP>
1.75

> <JCHEM_LOGP>
1.3130526593333336

> <ALOGPS_LOGS>
-0.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7978732909896054

> <JCHEM_POLAR_SURFACE_AREA>
13.14

> <JCHEM_REFRACTIVITY>
23.7211

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.26e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
silvan

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB012718

> <GENERIC_NAME>
2-Methylfuran

$$$$