Molecule

ID:17420

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃
Molecular Mass
157.60082
Exact Mass
157.04067495
Charge
0
InChI
InChI=1S/C6H7N3.ClH/c7-6(8)5-3-1-2-4-9-5;/h1-4H,(H3,7,8);1H
InChIKey
GMHCEDDZKAYPLB-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccccn1.Cl
Isomeric Smiles
c1(ccccn1)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2996583
LogD (pH = 7.4)
-1.3085152
Log P
0.06189219
Molar Refractivity
45.2016
Polarizability
13.12347
Polar Surface Area
62.76
Rotatable Bonds
1
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