Molecule

ID:54063

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClF₂N₂
Molecular Mass
192.5936864
Exact Mass
192.02658235
Charge
0
InChI
InChI=1S/C7H6F2N2.ClH/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H3,10,11);1H
InChIKey
WKFTUPMWPSKTKT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C(=N)N.Cl
Isomeric Smiles
c1c(ccc(c1F)C(=N)N)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2256715
LogD (pH = 7.4)
-0.7649319
Log P
1.1791182
Molar Refractivity
48.1633
Polarizability
13.47328
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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