Molecule

ID:51174

General Information
Structure
Molecular Formula
C₇H₇ClF₂N₂
Molecular Mass
192.5936864
Exact Mass
192.02658235
Charge
0
InChI
InChI=1S/C7H6F2N2.ClH/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,(H3,10,11);1H
InChIKey
WIFHYQZBCRLTBT-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(c(c1)F)F.Cl
Isomeric Smiles
C(=N)(c1cc(c(cc1)F)F)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2359347
LogD (pH = 7.4)
-1.2052348
Log P
1.1791182
Molar Refractivity
48.1633
Polarizability
13.469772
Polar Surface Area
49.87
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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