Molecule

ID:117712

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃S
Molecular Mass
277.3388
Exact Mass
277.07726435
Charge
0
InChI
InChI=1S/C14H15NO3S/c1-3-17-14(16)11-4-6-12(7-5-11)18-8-13-15-10(2)9-19-13/h4-7,9H,3,8H2,1-2H3
InChIKey
DEXJCBIRJAKSMP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)OCc1scc(n1)C
Isomeric Smiles
n1c(scc1C)COc1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7635818
LogD (pH = 7.4)
2.763661
Log P
2.763662
Molar Refractivity
73.0346
Polarizability
28.259804
Polar Surface Area
48.42
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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