Molecule

ID:26948

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNS
Molecular Mass
209.69522
Exact Mass
209.00659794
Charge
0
InChI
InChI=1S/C10H8ClNS/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
SVEGSFSFMLCNFF-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1ccccc1
Isomeric Smiles
n1c(scc1CCl)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3254151
LogD (pH = 7.4)
3.3255215
Log P
3.325523
Molar Refractivity
65.7127
Polarizability
22.03096
Polar Surface Area
12.89
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