Molecule

ID:34516

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃OS
Molecular Mass
231.7025
Exact Mass
231.02331064
Charge
0
InChI
InChI=1S/C8H9N3OS.ClH/c9-5-8-10-7(11-12-8)4-6-2-1-3-13-6;/h1-3H,4-5,9H2;1H
InChIKey
RNWJWSGRZSBNEP-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(n1)Cc1cccs1.Cl
Isomeric Smiles
o1nc(nc1CN)Cc1cccs1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.29435804
LogD (pH = 7.4)
1.1395912
Log P
1.3213613
Molar Refractivity
50.7107
Polarizability
18.86558
Polar Surface Area
64.94
Rotatable Bonds
3
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