Molecule

ID:115362

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄S
Molecular Mass
329.3703
Exact Mass
329.07217897
Charge
0
InChI
InChI=1S/C17H15NO4S/c1-12-7-9-13(10-8-12)23(20,21)18-11-15(17(19)22-2)14-5-3-4-6-16(14)18/h3-11H,1-2H3
InChIKey
ZSMFPQLEPDPGMC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(n1cc(c2c1cccc2)C(=O)OC)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5182803
LogD (pH = 7.4)
3.5182803
Log P
3.5182803
Molar Refractivity
87.2313
Polarizability
35.44129
Polar Surface Area
65.37
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