Mrv1718001011917332D          

 11 10  0  0  0  0            999 V2000
    0.6822    0.6159    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -0.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519    1.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782    0.6121    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537    0.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782    1.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0341   -1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -1.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00677

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)OP(F)(=O)OC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

> <INCHI_KEY>
MUCZHBLJLSDCSD-UHFFFAOYSA-N

> <FORMULA>
C6H14FO3P

> <MOLECULAR_WEIGHT>
184.1457

> <EXACT_MASS>
184.066459031

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
16.818006666032645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
bis(propan-2-yl) phosphorofluoridate

> <ALOGPS_LOGP>
1.10

> <JCHEM_LOGP>
1.7603906453333336

> <ALOGPS_LOGS>
-1.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-9.64521439025244

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
40.888000000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isoflurophate

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00677

> <SECONDARY_ACCESSION_NUMBERS>
APRD00763

> <DRUG_GROUPS>
approved; investigational; withdrawn

> <GENERIC_NAME>
Isoflurophate

> <SYNONYMS>
DFP; Diisopropoxyphosphoryl fluoride; Diisopropyl fluorophosphate; Diisopropyl fluorophosphonate; Diisopropyl phosphofluoridate; Diisopropyl phosphorofluoridate; Diisopropylfluorophosphate; Diisopropylfluorophosphoric acid ester; Diisopropylphosphofluoridate; Diisopropylphosphorofluoridate; Fluorodiisopropyl phosphate; Fluorostigmine; Isofluorphate; Isoflurophate; Isoflurophosphate; Isopropyl fluophosphate; Isopropyl phosphorofluoridate; O,O'-diisopropyl phosphoryl fluoride

> <INTERNATIONAL_BRANDS>
Diflupyl; Floropryl; Fluopryl; Neoglaucit

$$$$