Molecule

ID:15093

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂N₃
Molecular Mass
163.99272
Exact Mass
162.97040247
Charge
0
InChI
InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
InChIKey
JPZOAVGMSDSWSW-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)nc(n1)N
Isomeric Smiles
n1c(nc(cc1Cl)Cl)N
Calculated Properties
JChem
Acid pKa
15.764706
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5480311
LogD (pH = 7.4)
1.5480391
Log P
1.5480392
Molar Refractivity
39.1009
Polarizability
13.7169485
Polar Surface Area
51.8
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