Molecule

ID:75255

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChIKey
NKLOLMQJDLMZRE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc[nH]2
Isomeric Smiles
[nH]1cnc2cc(ccc12)Cl
Calculated Properties
JChem
Acid pKa
12.1465
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5785886
LogD (pH = 7.4)
1.8578391
Log P
1.8635486
Molar Refractivity
39.7733
Polarizability
16.508589
Polar Surface Area
28.68
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