Mrv0541 03191312282D          
 
 11 10  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 F   0  0  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
  4  6  1  0  0  0  0
  1  2  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  4  5  1  0  0  0  0
  3 10  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB008899

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11

> <INCHI_KEY>
QYSGYZVSCZSLHT-UHFFFAOYSA-N

> <FORMULA>
C3F8

> <MOLECULAR_WEIGHT>
188.0193

> <EXACT_MASS>
187.98722564

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.095292017715581

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octafluoropropane

> <ALOGPS_LOGP>
2.96

> <JCHEM_LOGP>
2.7823601316666666

> <ALOGPS_LOGS>
-3.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
17.5372

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.46e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
definity

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB008899

> <GENERIC_NAME>
Albumin

$$$$