Molecule

ID:97947

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClFN₂
Molecular Mass
162.5925232
Exact Mass
162.03600417
Charge
0
InChI
InChI=1S/C6H7FN2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3H,8-9H2;1H
InChIKey
FXJLUYPJRDHMFS-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)N)F.Cl
Isomeric Smiles
Nc1cc(c(cc1)F)N.Cl
Calculated Properties
JChem
Acid pKa
19.45936
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.42578453
LogD (pH = 7.4)
0.45767358
Log P
0.45809585
Molar Refractivity
35.6752
Polarizability
12.29299
Polar Surface Area
52.04
Rotatable Bonds
0
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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