Molecule

ID:15108

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂
Molecular Mass
138.55442
Exact Mass
137.99847579
Charge
0
InChI
InChI=1S/C6H3ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
InChIKey
ORIQLMBUPMABDV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1)Cl
Isomeric Smiles
n1c(Cl)ccc(c1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4358914
LogD (pH = 7.4)
1.4358914
Log P
1.4358914
Molar Refractivity
35.4888
Polarizability
13.215754
Polar Surface Area
36.68
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