Molecule

ID:77427

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₄S
Molecular Mass
331.38618
Exact Mass
331.08782903
Charge
0
InChI
InChI=1S/C17H17NO4S/c1-4-22-17(21)13-10-12(16(23-3)18(2)15(13)20)14(19)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKey
ZTUJRKVQSCDXBG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C(=O)c2ccccc2)c(n(c1=O)C)SC
Isomeric Smiles
n1(c(c(cc(c1=O)C(=O)OCC)C(=O)c1ccccc1)SC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7896144
LogD (pH = 7.4)
2.7896144
Log P
2.7896144
Molar Refractivity
100.4068
Polarizability
34.491848
Polar Surface Area
63.68
Rotatable Bonds
6
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