Molecule

ID:66150

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₄
Molecular Mass
212.5719128
Exact Mass
212.00159072
Charge
0
InChI
InChI=1S/C8H5ClF4/c9-4-8(12,13)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey
NEVMZNJHAIBJAL-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1ccc(cc1F)F)(F)F
Isomeric Smiles
c1(c(cc(cc1)F)F)C(CCl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5465345
LogD (pH = 7.4)
3.5465345
Log P
3.5465345
Molar Refractivity
41.0257
Polarizability
15.106423
Polar Surface Area
0.0
Rotatable Bonds
2
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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