Molecule

ID:26402

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄S
Molecular Mass
307.36478
Exact Mass
307.08782903
Charge
0
InChI
InChI=1S/C15H17NO4S/c1-4-20-15(17)13-10(8-21-14(13)16)9-5-6-11(18-2)12(7-9)19-3/h5-8H,4,16H2,1-3H3
InChIKey
OZWGHIQPWZHYPG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)scc1c1ccc(c(c1)OC)OC
Isomeric Smiles
c1(c(csc1N)c1cc(c(cc1)OC)OC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.595419
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.4329255
LogD (pH = 7.4)
3.4329255
Log P
3.4329255
Molar Refractivity
81.8606
Polarizability
32.37986
Polar Surface Area
70.78
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