Mrv0541 02241216352D          

 18 20  0  0  0  0            999 V2000
    2.9369    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5727    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497    0.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    0.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -0.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339   -1.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619   -0.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703   -0.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0713   -0.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4708    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0262    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4418    1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2085    0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2664   -0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0342   -0.3669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342    1.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB011331

> <DATABASE_NAME>
foodb

> <SMILES>
OC1=CC=C2C=C(OC2=C1)C1=CC(O)=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H10O4/c15-10-2-1-8-5-13(18-14(8)7-10)9-3-11(16)6-12(17)4-9/h1-7,15-17H

> <INCHI_KEY>
LHPRYOJTASOZGJ-UHFFFAOYSA-N

> <FORMULA>
C14H10O4

> <MOLECULAR_WEIGHT>
242.2268

> <EXACT_MASS>
242.057908808

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
25.07540473792696

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol

> <ALOGPS_LOGP>
2.67

> <JCHEM_LOGP>
2.7888997373333333

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.26927428960336

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.643121623289865

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0465785209488643

> <JCHEM_POLAR_SURFACE_AREA>
73.83000000000001

> <JCHEM_REFRACTIVITY>
65.8555

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.89e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB011331

> <GENERIC_NAME>
Moracin M

$$$$