Molecule

ID:99380

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)5-1-2-6(3-11)12-4-5;/h1-2,4H,3,11H2;1H
InChIKey
HVXHWBMLTSDYGK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cn1)C(F)(F)F.Cl
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8722688
LogD (pH = 7.4)
-0.28268152
Log P
0.8406622
Molar Refractivity
37.826
Polarizability
14.000355
Polar Surface Area
38.91
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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