Mrv0541 12021206402D          

 17 17  0  0  0  0            999 V2000
    2.8286   -6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1141   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1141   -7.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -8.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -7.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996   -6.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996   -8.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996   -8.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286   -8.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430   -9.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -8.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720   -7.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -5.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720   -5.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB012288

> <DATABASE_NAME>
foodb

> <SMILES>
COC1=C(OC)C(OC)=C(OC)C(CC=C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3

> <INCHI_KEY>
HRAXJWRHSUTMCS-UHFFFAOYSA-N

> <FORMULA>
C13H18O4

> <MOLECULAR_WEIGHT>
238.2796

> <EXACT_MASS>
238.120509064

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
25.507913757667104

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2,3,4-tetramethoxy-5-(prop-2-en-1-yl)benzene

> <ALOGPS_LOGP>
2.80

> <JCHEM_LOGP>
2.441131486333334

> <ALOGPS_LOGS>
-3.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.330920523419637

> <JCHEM_POLAR_SURFACE_AREA>
36.92

> <JCHEM_REFRACTIVITY>
66.1981

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.97e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2,3,4-tetramethoxy-5-(prop-2-en-1-yl)benzene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB012288

> <GENERIC_NAME>
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene

$$$$