Molecule

ID:35335

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄S
Molecular Mass
308.35284
Exact Mass
308.083078
Charge
0
InChI
InChI=1S/C14H16N2O4S/c1-19-11-5-8-14(20-2)13(9-11)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,15H2,1-2H3
InChIKey
WNZPCDJZVOAORM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)N)OC
Isomeric Smiles
S(=O)(=O)(Nc1cc(ccc1OC)OC)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
7.3829384
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3114694
LogD (pH = 7.4)
1.0556741
Log P
1.3166426
Molar Refractivity
80.517
Polarizability
31.393528
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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