Molecule
ID:32090
General Information
Molecular Formula
C₉H₇ClF₂
Molecular Mass
188.6016864
Exact Mass
188.02043434
Charge
0
InChI
InChI=1S/C9H7ClF2/c10-7-1-2-8-6(5-7)3-4-9(8,11)12/h1-2,5H,3-4H2
InChIKey
CWIHRRQFKNZKHP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)CCC2(F)F
Isomeric Smiles
c1cc2c(cc1Cl)CCC2(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4564412
LogD (pH = 7.4)
3.4564412
Log P
3.4564412
Molar Refractivity
44.0754
Polarizability
16.41941
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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