Mrv0541 02241215092D          

 12 13  0  0  0  0            999 V2000
    1.4434    1.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB020188

> <DATABASE_NAME>
foodb

> <SMILES>
COC1=CC2=C(C=CC=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3

> <INCHI_KEY>
LUZDYPLAQQGJEA-UHFFFAOYSA-N

> <FORMULA>
C11H10O

> <MOLECULAR_WEIGHT>
158.1965

> <EXACT_MASS>
158.073164942

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.616829077796236

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methoxynaphthalene

> <ALOGPS_LOGP>
3.37

> <JCHEM_LOGP>
2.8050513070000003

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.828409567599727

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
48.97140000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.50e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
naphthalene, 2-methoxy-

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB020188

> <GENERIC_NAME>
Arabinogalactan

$$$$