Molecule

ID:16398

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂
Molecular Mass
178.61828
Exact Mass
178.02977591
Charge
0
InChI
InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3
InChIKey
IEDBAGGSOLFBBH-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c2c1cccc2)C
Isomeric Smiles
c12c(c(nnc1C)Cl)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7206923
LogD (pH = 7.4)
1.7208699
Log P
1.7208722
Molar Refractivity
50.6722
Polarizability
19.768425
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