Molecule

ID:13705

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChIKey
MEQBJJUWDCYIAB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1Cl
Isomeric Smiles
c1cnc(c(c1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7508216
LogD (pH = 7.4)
0.7508687
Log P
0.7508693
Molar Refractivity
34.4676
Polarizability
12.521045
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation