Molecule

ID:7346

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₄
Molecular Mass
198.5453328
Exact Mass
197.98594066
Charge
0
InChI
InChI=1S/C7H3ClF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKey
HKBWIKAFHCGRTH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1F)C(F)(F)F
Isomeric Smiles
c1c(c(cc(c1)C(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.597841
LogD (pH = 7.4)
3.597841
Log P
3.597841
Molar Refractivity
37.0529
Polarizability
13.442068
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
No Data Available
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Molecule Details
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References
Bioactivity
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