Molecule

ID:12161

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClF₃N₂O
Molecular Mass
228.5994296
Exact Mass
228.02772523
Charge
0
InChI
InChI=1S/C7H7F3N2O.ClH/c8-7(9,10)13-6-3-1-5(12-11)2-4-6;/h1-4,12H,11H2;1H
InChIKey
KQXZVSQCMVKMBK-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)OC(F)(F)F.Cl
Isomeric Smiles
N(N)c1ccc(cc1)OC(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5890296
LogD (pH = 7.4)
2.7926733
Log P
2.796
Molar Refractivity
38.835
Polarizability
14.878726
Polar Surface Area
47.28
Rotatable Bonds
3
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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