Molecule

ID:51401

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₄
Molecular Mass
198.5453328
Exact Mass
197.98594066
Charge
0
InChI
InChI=1S/C7H3ClF4/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,7H
InChIKey
RPOHUQPYFMUUNF-UHFFFAOYSA-N
Canonic Smiles
FC(c1c(F)cc(cc1F)Cl)F
Isomeric Smiles
c1(c(c(cc(c1)Cl)F)C(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2517824
LogD (pH = 7.4)
3.2517824
Log P
3.2517824
Molar Refractivity
36.3796
Polarizability
13.394755
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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