Molecule

ID:15546

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂F₃N₂
Molecular Mass
247.0450896
Exact Mass
245.99383825
Charge
0
InChI
InChI=1S/C7H6ClF3N2.ClH/c8-5-2-1-4(7(9,10)11)3-6(5)13-12;/h1-3,13H,12H2;1H
InChIKey
FRLINAXMXPSHSI-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(ccc1Cl)C(F)(F)F.Cl
Isomeric Smiles
c1c(c(cc(c1)C(F)(F)F)NN)Cl.Cl
Calculated Properties
JChem
Acid pKa
17.526056
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7365847
LogD (pH = 7.4)
2.8451688
Log P
2.8467815
Molar Refractivity
46.5432
Polarizability
16.08718
Polar Surface Area
38.05
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
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Molecule Details
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References
Bioactivity
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