Molecule

ID:9257

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClF₃N₂
Molecular Mass
212.6000296
Exact Mass
212.03281061
Charge
0
InChI
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-3-1-2-4-6(5)12-11;/h1-4,12H,11H2;1H
InChIKey
ZUSWDTWYONAOPH-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1C(F)(F)F.Cl
Isomeric Smiles
c1cccc(c1NN)C(F)(F)F.Cl
Calculated Properties
JChem
Acid pKa
18.315767
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.10269
LogD (pH = 7.4)
2.2406607
Log P
2.2427368
Molar Refractivity
41.7384
Polarizability
14.08499
Polar Surface Area
38.05
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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