Molecule

ID:29816

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃N
Molecular Mass
195.5695096
Exact Mass
195.00626151
Charge
0
InChI
InChI=1S/C7H5ClF3N/c8-6-2-1-5(4-12-6)3-7(9,10)11/h1-2,4H,3H2
InChIKey
GZLDIGZOBXAKKD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CC(F)(F)F
Isomeric Smiles
c1(ccc(cn1)CC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7279303
LogD (pH = 7.4)
2.7279465
Log P
2.7279468
Molar Refractivity
40.1927
Polarizability
14.491353
Polar Surface Area
12.89
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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