Mrv1909 03032018262D          

 20 19  0  0  0  0            999 V2000
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843   -0.9207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6592   -0.9207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0552   -0.9207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697   -0.9207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    0.2062    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6593    0.9208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843    0.9208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698    0.9208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552    0.9208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.0313    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.2061    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.6189    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.0313    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.6188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 13  2  1  0  0  0  0
  5 13  1  0  0  0  0
 10  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
> <DATABASE_ID>
DB09531

> <DATABASE_NAME>
drugbank

> <SMILES>
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20

> <INCHI_KEY>
ZJIJAJXFLBMLCK-UHFFFAOYSA-N

> <FORMULA>
C6F14

> <MOLECULAR_WEIGHT>
338.044

> <EXACT_MASS>
337.977644282

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.443176598003777

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetradecafluorohexane

> <ALOGPS_LOGP>
4.20

> <JCHEM_LOGP>
4.884288274666666

> <ALOGPS_LOGS>
-3.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
31.541199999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.81e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimyristoylphosphatidylcholine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB09531

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Perflexane

> <SYNONYMS>
1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane; n-perfluorohexane; n-tetradecafluorohexane; Perflexane; Perfluorohexane

$$$$