Molecule

ID:84095

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₅S
Molecular Mass
306.33366
Exact Mass
306.05619455
Charge
0
InChI
InChI=1S/C15H14O5S/c1-11-3-6-13(7-4-11)21(17,18)20-14-8-5-12(10-16)9-15(14)19-2/h3-10H,1-2H3
InChIKey
HEVNIQOBWMMUIH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)Oc1c(cc(cc1)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2583241
LogD (pH = 7.4)
3.2583241
Log P
3.2583241
Molar Refractivity
79.0288
Polarizability
30.927824
Polar Surface Area
69.67
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