Molecule

ID:40755

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄S
Molecular Mass
307.36478
Exact Mass
307.08782903
Charge
0
InChI
InChI=1S/C15H17NO4S/c1-5-20-15(17)13-9(2)16-14(21-13)10-6-7-11(18-3)12(8-10)19-4/h6-8H,5H2,1-4H3
InChIKey
OYDTZYBFGUQOJX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C)c1ccc(c(c1)OC)OC
Isomeric Smiles
c1(sc(nc1C)c1cc(c(cc1)OC)OC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9655578
LogD (pH = 7.4)
2.9655607
Log P
2.965561
Molar Refractivity
90.4439
Polarizability
31.487741
Polar Surface Area
57.65
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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