Mrv1718012301820552D          

 11 10  0  0  0  0            999 V2000
   -0.7147   -0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.9760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4287    0.2614    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.5662    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126    0.9760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123    0.9759    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.2614    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -0.9760    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.5563    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  1 10  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00556

> <DATABASE_NAME>
drugbank

> <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_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
7.095292023656694

> <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>
0.0

> <JCHEM_REFRACTIVITY>
17.5372

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.46e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
perflutren

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00556

> <SECONDARY_ACCESSION_NUMBERS>
APRD01177

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Perflutren

> <SYNONYMS>
1,1,1,2,2,3,3,3-octafluoropropane; Freon 218; Octafluoropropane; Octafluorpropan; Oktafluorpropan; Perfluoropropane; Perflutren; Perflutreno

> <PRODUCTS>
Definity; Definity RT; Luminity; Optison; Optison Perflutren Protein-Type A Microspheres

> <INTERNATIONAL_BRANDS>
Optison

$$$$