Molecule

ID:66719

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
InChIKey
ZHMASVAJFJFFLS-UHFFFAOYSA-N
Canonic Smiles
Nc1cncc(c1)Cl
Isomeric Smiles
c1c(cc(cn1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5223301
LogD (pH = 7.4)
0.5305856
Log P
0.5306921
Molar Refractivity
33.4063
Polarizability
12.473763
Polar Surface Area
38.91
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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