TEN
  Mrv0541 02231216522D          

 11 10  0  0  0  0            999 V2000
   -0.3539   -0.5685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2295   -1.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994   -2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372    0.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238    0.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    1.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2295    0.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160    0.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5994    1.3953    0.0000 C   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
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB03347

> <DATABASE_NAME>
drugbank

> <SMILES>
CCOP(=O)(OCC)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

> <INCHI_KEY>
InChIKey=DQWPFSLDHJDLRL-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.863094576312836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
182.07079548

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C6H15O4P

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
triethyl phosphate

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
1.184202209333333

> <ALOGPS_LOGS>
-1.06

> <JCHEM_MASS>
182.1547

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-9.055473292731822

> <JCHEM_POLAR_SURFACE_AREA>
44.760000000000005

> <JCHEM_REFRACTIVITY>
42.3446

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.59e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triethyl phosphate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB03347

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Triethyl Phosphate

$$$$