9387
  -OEChem-12102015203D

 26 25  0     0  0  0  0  0  0999 V2000
   -1.5986   -1.6824    1.0817 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.7466    2.0001 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6526   -2.4415   -0.0207 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920   -1.3148   -1.3957 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754    1.5978    0.7494 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798    0.8202    1.9868 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988    0.8701   -1.1557 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9777   -0.9610   -1.7907 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7776    2.1732   -0.1672 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901    0.8682   -1.5198 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746    0.4437    1.4426 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694   -1.3592    0.7308 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2719    0.0529    0.7380 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3234    0.3017   -1.4297 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397   -1.2970   -0.5361 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5947    0.8225    0.8292 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2502    0.1202   -1.2065 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2602    1.9283   -0.4973 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6462   -0.7290    0.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -1.1806   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308    0.6285    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.3430   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    0.8954   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4964   -0.1483    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5284   -0.0104   -0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    0.6909   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 26  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <DATABASE_ID>
DB15997

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YVBBRRALBYAZBM-UHFFFAOYSA-N/SDF?record_type=3d

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

> <INCHI_IDENTIFIER>
InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26

> <INCHI_KEY>
YVBBRRALBYAZBM-UHFFFAOYSA-N

> <FORMULA>
C8F18

> <MOLECULAR_WEIGHT>
438.059

> <EXACT_MASS>
437.971256934

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.736223526657795

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecafluorooctane

> <ALOGPS_LOGP>
4.83

> <JCHEM_LOGP>
6.285573703333332

> <ALOGPS_LOGS>
-4.17

> <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>
40.8772

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.99e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-arginine; L-aspartic acid

> <JCHEM_VEBER_RULE>
1

$$$$