Molecule

ID:94995

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClF₄N₂
Molecular Mass
230.5904928
Exact Mass
230.02338879
Charge
0
InChI
InChI=1S/C7H6F4N2.ClH/c8-6-2-1-4(13-12)3-5(6)7(9,10)11;/h1-3,13H,12H2;1H
InChIKey
KBJZDPPQFFSNDS-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(c(c1)C(F)(F)F)F.Cl
Isomeric Smiles
N(c1cc(c(cc1)F)C(F)(F)F)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2267375
LogD (pH = 7.4)
2.383033
Log P
2.385439
Molar Refractivity
41.9548
Polarizability
13.995857
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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