Molecule

ID:26377

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄S
Molecular Mass
293.3382
Exact Mass
293.07217897
Charge
0
InChI
InChI=1S/C14H15NO4S/c1-17-10-5-4-8(6-11(10)18-2)9-7-20-13(15)12(9)14(16)19-3/h4-7H,15H2,1-3H3
InChIKey
ZUSQWNRHCGOMKZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)scc1c1ccc(c(c1)OC)OC
Isomeric Smiles
c1(c(csc1N)c1cc(c(cc1)OC)OC)C(=O)OC
Calculated Properties
JChem
Acid pKa
17.602436
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.0761175
LogD (pH = 7.4)
3.0761175
Log P
3.0761175
Molar Refractivity
77.112
Polarizability
30.542206
Polar Surface Area
70.78
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