Molecule

ID:51438

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₂
Molecular Mass
162.5644064
Exact Mass
162.00478428
Charge
0
InChI
InChI=1S/C7H5ClF2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey
RPSUKAMDJCKXAF-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1)(Cl)F
Isomeric Smiles
c1cccc(c1)C(Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.057781
LogD (pH = 7.4)
3.057781
Log P
3.057781
Molar Refractivity
36.8665
Polarizability
13.550101
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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