Molecule

ID:113802

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNOS
Molecular Mass
213.68392
Exact Mass
213.00151256
Charge
0
InChI
InChI=1S/C9H8ClNOS/c1-2-12-6-4-3-5-7-8(6)11-9(10)13-7/h3-5H,2H2,1H3
InChIKey
RZFGTVCAOCOOEQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc2c1nc(s2)Cl
Isomeric Smiles
n1c(sc2c1c(OCC)ccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2266223
LogD (pH = 7.4)
3.2266228
Log P
3.2266228
Molar Refractivity
53.3664
Polarizability
21.967617
Polar Surface Area
22.12
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