Molecule

ID:80703

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClN₃OS
Molecular Mass
239.68144
Exact Mass
238.99201051
Charge
0
InChI
InChI=1S/C9H6ClN3OS/c1-5-7(8(10)14)15-9(13-5)6-4-11-2-3-12-6/h2-4H,1H3
InChIKey
AURNSWQWQVJINA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1sc(nc1C)c1cnccn1
Isomeric Smiles
n1c(c2cnccn2)sc(c1C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.0620354
LogD (pH = 7.4)
1.0620364
Log P
1.0620365
Molar Refractivity
67.1725
Polarizability
22.22629
Polar Surface Area
55.74
Rotatable Bonds
2
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