Molecule

ID:29892

General Information
Structure
Molecular Formula
C₈H₉ClF₃N
Molecular Mass
211.6119696
Exact Mass
211.03756163
Charge
0
InChI
InChI=1S/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H
InChIKey
LCQGOISHUDYBOS-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)c1ccccc1.Cl
Isomeric Smiles
NC(C(F)(F)F)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.028292
LogD (pH = 7.4)
2.112688
Log P
2.1138775
Molar Refractivity
39.6517
Polarizability
14.804085
Polar Surface Area
26.02
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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