Molecule

ID:8358

General Information
Structure
Molecular Formula
C₆H₈ClFN₂
Molecular Mass
162.5925232
Exact Mass
162.03600417
Charge
0
InChI
InChI=1S/C6H7FN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
InChIKey
VFZYLSYYMHFPSY-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1F.Cl
Isomeric Smiles
Cl.c1ccc(c(c1)NN)F
Calculated Properties
JChem
Acid pKa
16.647232
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4094163
LogD (pH = 7.4)
1.5062056
Log P
1.5075904
Molar Refractivity
35.9811
Polarizability
12.561621
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
Molecule Details
References
Bioactivity
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