Molecule

ID:29886

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)6(11)5-2-1-3-12-4-5;/h1-4,6H,11H2;1H
InChIKey
NLDVAGWIUPSGQC-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)c1cccnc1.Cl
Isomeric Smiles
NC(C(F)(F)F)c1cnccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.839322
LogD (pH = 7.4)
0.8954432
Log P
0.8962051
Molar Refractivity
37.4948
Polarizability
14.012574
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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