Molecule

ID:35336

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄S
Molecular Mass
308.35284
Exact Mass
308.083078
Charge
0
InChI
InChI=1S/C14H16N2O4S/c1-19-11-5-8-13(14(9-11)20-2)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,15H2,1-2H3
InChIKey
CYFNPWLREAHHLY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1NS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(Nc1c(cc(cc1)OC)OC)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
7.714611
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3141187
LogD (pH = 7.4)
1.1683902
Log P
1.3166426
Molar Refractivity
80.517
Polarizability
31.393444
Polar Surface Area
90.65
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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