Molecule

ID:28680

General Information
Structure
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
InChIKey
RZJPBQGRCNJYBU-UHFFFAOYSA-N
Canonic Smiles
Clc1cccnc1N
Isomeric Smiles
c1cnc(c(c1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9851071
LogD (pH = 7.4)
1.1230478
Log P
1.1251496
Molar Refractivity
33.7198
Polarizability
12.475166
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
References
Bioactivity
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