Molecule

ID:32084

General Information
Structure
Molecular Formula
C₈H₅ClF₄
Molecular Mass
212.5719128
Exact Mass
212.00159072
Charge
0
InChI
InChI=1S/C8H5ClF4/c1-8(12,13)4-2-7(11)5(9)3-6(4)10/h2-3H,1H3
InChIKey
UBHFMVSDUWNDCM-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(c(cc1Cl)F)C(F)(F)C
Isomeric Smiles
FC(F)(C)c1c(cc(c(c1)F)Cl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.499845
LogD (pH = 7.4)
3.499845
Log P
3.499845
Molar Refractivity
41.4014
Polarizability
15.171225
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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