Molecule

ID:97814

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClF₂N₂
Molecular Mass
180.5829864
Exact Mass
180.02658235
Charge
0
InChI
InChI=1S/C6H6F2N2.ClH/c7-4-2-1-3-5(10-9)6(4)8;/h1-3,10H,9H2;1H
InChIKey
SDFAWGYUVRQFQZ-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1F)F.Cl
Isomeric Smiles
N(c1c(c(ccc1)F)F)N.Cl
Calculated Properties
JChem
Acid pKa
15.559502
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5766757
LogD (pH = 7.4)
1.6489898
Log P
1.6502923
Molar Refractivity
36.1975
Polarizability
12.344049
Polar Surface Area
38.05
Rotatable Bonds
1
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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