Molecule
ID:29897
General Information
Molecular Formula
C₇H₃ClF₄
Molecular Mass
198.5453328
Exact Mass
197.98594066
Charge
0
InChI
InChI=1S/C7H3ClF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChIKey
KLZMNQRDDPSCLS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(cc(c1)F)Cl)(F)(F)F
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
13.424271
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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