Molecule

ID:94999

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClF₂N₂
Molecular Mass
180.5829864
Exact Mass
180.02658235
Charge
0
InChI
InChI=1S/C6H6F2N2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
InChIKey
CKCNKYAHVKNKHQ-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(F)cc(c1)F.Cl
Isomeric Smiles
N(c1cc(cc(c1)F)F)N.Cl
Calculated Properties
JChem
Acid pKa
18.596792
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5305833
LogD (pH = 7.4)
1.6485602
Log P
1.6502923
Molar Refractivity
36.1975
Polarizability
12.345015
Polar Surface Area
38.05
Rotatable Bonds
1
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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