Molecule

ID:9133

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂F
Molecular Mass
164.9924232
Exact Mass
163.95958368
Charge
0
InChI
InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
BDJZCCWUSOZUQG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)F
Isomeric Smiles
c1c(cc(c(c1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.324037
LogD (pH = 7.4)
3.324037
Log P
3.324037
Molar Refractivity
35.884
Polarizability
13.880775
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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