Mrv0541 02231216082D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  CHG  2   1  -1   3  -1
M  END
> <DATABASE_ID>
DB02348

> <DATABASE_NAME>
drugbank

> <SMILES>
[O-]P([O-])(F)=O

> <INCHI_IDENTIFIER>
InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2

> <INCHI_KEY>
DWYMPOCYEZONEA-UHFFFAOYSA-L

> <FORMULA>
FO3P

> <MOLECULAR_WEIGHT>
97.9704

> <EXACT_MASS>
97.956908583

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9404804370678992

> <JCHEM_AVERAGE_POLARIZABILITY>
4.590388320154327

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phosphorofluoridate

> <JCHEM_LOGP>
-0.5422967586666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.1023389851299905

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.10044051876669839

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
11.3452

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB02348

> <SECONDARY_ACCESSION_NUMBERS>
EXPT01478

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Monofluorophosphate ion

> <SYNONYMS>
Fluoridophosphate; Fluorophosphate; Phosphorofluoridate

$$$$