Molecule

ID:86118

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈OS₃
Molecular Mass
276.39702
Exact Mass
275.97372788
Charge
0
InChI
InChI=1S/C13H8OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-8H
InChIKey
PMPDDPJYARBNGV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1ccc(s1)c1cccs1
Isomeric Smiles
s1c(ccc1c1cccs1)c1ccc(s1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4407887
LogD (pH = 7.4)
4.4407887
Log P
4.4407887
Molar Refractivity
73.1523
Polarizability
30.130917
Polar Surface Area
17.07
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