Structure #1
  Mrv0541 02241207112D          

 10 10  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5395    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  CHG  2   7  -1   8  -1
M  END
> <DATABASE_ID>
M2MDB001164

> <DATABASE_NAME>
M2MDB

> <SMILES>
[O-]P([O-])(=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)/p-2

> <INCHI_KEY>
QLZHNIAADXEJJP-UHFFFAOYSA-L

> <FORMULA>
C6H5O3P

> <MOLECULAR_WEIGHT>
156.0759

> <EXACT_MASS>
155.997630538

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
12.922543520292686

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phenylphosphonate

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
0.47840000000000027

> <ALOGPS_LOGS>
-1.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.240607835561069

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8492216587743582

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
35.00300000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.84e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenylphosphonate

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB20330

> <GENERIC_NAME>
Phenylphosphonate

$$$$