Molecule

ID:9108

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₂
Molecular Mass
162.5644064
Exact Mass
162.00478428
Charge
0
InChI
InChI=1S/C7H5ClF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
VTGRVYJPIVZZGS-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(c(c1)F)F
Isomeric Smiles
c1c(c(cc(c1)CCl)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.8458917
LogD (pH = 7.4)
2.8458917
Log P
2.8458917
Molar Refractivity
36.3577
Polarizability
13.473765
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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