Mrv1718011011712202D          

 15 15  0  0  0  0            999 V2000
    1.0717    1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <DATABASE_ID>
DB02514

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-]C(=O)C(=C/OP(=O)=O)\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-

> <INCHI_KEY>
WSMRUPUEYOBWRC-VURMDHGXSA-M

> <FORMULA>
C9H6O5P

> <MOLECULAR_WEIGHT>
225.1147

> <EXACT_MASS>
224.995284814

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
18.429738631228393

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z)-2-phenyl-3-(phosphooxy)prop-2-enoate

> <ALOGPS_LOGP>
0.76

> <JCHEM_LOGP>
1.7812999999999997

> <ALOGPS_LOGS>
-3.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5063334507687407

> <JCHEM_POLAR_SURFACE_AREA>
83.5

> <JCHEM_REFRACTIVITY>
63.065700000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-2-phenyl-3-(phosphooxy)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02514

> <SECONDARY_ACCESSION_NUMBERS>
EXPT00995

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
(2Z)-3-{[Oxido(oxo)phosphoranyl]oxy}-2-phenylacrylate

$$$$