Molecule

ID:22204

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀OS
Molecular Mass
190.2615
Exact Mass
190.04523594
Charge
0
InChI
InChI=1S/C11H10OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3
InChIKey
HBTQKSGOEOVCBN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sc2c(c1C)cccc2
Isomeric Smiles
c1ccc2c(c1)c(c(s2)C(=O)C)C
Calculated Properties
JChem
Acid pKa
15.07955
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.052779
LogD (pH = 7.4)
3.052779
Log P
3.052779
Molar Refractivity
54.6262
Polarizability
22.021286
Polar Surface Area
17.07
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