Molecule

ID:85513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄S
Molecular Mass
226.249
Exact Mass
226.0299798
Charge
0
InChI
InChI=1S/C10H10O4S/c11-10(12)8-15(13,14)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)
InChIKey
WCOXFTGMNJJABC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CS(=O)(=O)/C=C/c1ccccc1
Isomeric Smiles
S(=O)(=O)(CC(=O)O)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
3.567579
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9575528
LogD (pH = 7.4)
-2.3850143
Log P
0.9690661
Molar Refractivity
55.6737
Polarizability
22.25362
Polar Surface Area
71.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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