Molecule

ID:9136

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂F
Molecular Mass
164.9924232
Exact Mass
163.95958368
Charge
0
InChI
InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChIKey
NPXCSDPOOVOVDQ-UHFFFAOYSA-N
Canonic Smiles
Clc1c(F)cccc1Cl
Isomeric Smiles
c1cc(c(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
13.912021
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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