Molecule

ID:14065

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₄S
Molecular Mass
262.2811
Exact Mass
262.0299798
Charge
0
InChI
InChI=1S/C13H10O4S/c1-16-11-7-9(8-14)4-5-10(11)17-13(15)12-3-2-6-18-12/h2-8H,1H3
InChIKey
ZOLFWKYWRIZFDP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)c1cccs1
Isomeric Smiles
C(=O)(c1sccc1)Oc1c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1023936
LogD (pH = 7.4)
3.1023936
Log P
3.1023936
Molar Refractivity
67.798
Polarizability
25.61953
Polar Surface Area
52.6
Rotatable Bonds
5
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