Molecule

ID:80270

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClN₂
Molecular Mass
164.5917
Exact Mass
164.01412585
Charge
0
InChI
InChI=1S/C8H5ClN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
InChIKey
UCOVESIAFFGEOR-UHFFFAOYSA-N
Canonic Smiles
Clc1nncc2c1cccc2
Isomeric Smiles
n1c(c2ccccc2cn1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5894806
LogD (pH = 7.4)
1.5895017
Log P
1.5895021
Molar Refractivity
46.0807
Polarizability
18.007652
Polar Surface Area
25.78
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
暂无数据
点击上传数据
References
Bioactivity
Navigation