Mrv1902 01271918042D          

  8  7  0  0  0  0            999 V2000
    0.8250   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2374    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  7  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01159

> <DATABASE_NAME>
drugbank

> <SMILES>
[H]C(Cl)(Br)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H

> <INCHI_KEY>
BCQZXOMGPXTTIC-UHFFFAOYSA-N

> <FORMULA>
C2HBrClF3

> <MOLECULAR_WEIGHT>
197.382

> <EXACT_MASS>
195.890225001

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
9.783667227362905

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-bromo-2-chloro-1,1,1-trifluoroethane

> <ALOGPS_LOGP>
2.50

> <JCHEM_LOGP>
2.1193551299999998

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
24.633099999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
gemifloxacin mesylate

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB01159

> <SECONDARY_ACCESSION_NUMBERS>
APRD00598; EXPT01754; DB02330

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Halothane

> <SYNONYMS>
1-bromo-1-chloro-2,2,2-trifluoroethane; 1,1,1-trifluoro-2-bromo-2-chloroethane; 1,1,1-trifluoro-2-chloro-2-bromoethane; 2-bromo-2-chloro-1,1,1-trifluoroethane; 2,2,2-trifluoro-1-chloro-1-bromoethane; Alotano; Bromochlorotrifluoroethane; Halotano; Halothane; Halothanum

> <PRODUCTS>
Fluothane Anesthetic; Fluothane Liq Inh 1000mg/gm; Halothane; Halothane Liq 99.9%

> <INTERNATIONAL_BRANDS>
Fluothane; Ftorotan; Halotan; Narcotan

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