Molecule

ID:21491

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₃S
Molecular Mass
340.39624
Exact Mass
340.08816338
Charge
0
InChI
InChI=1S/C18H16N2O3S/c19-14-6-12-18(13-7-14)24(21,22)20-15-8-10-17(11-9-15)23-16-4-2-1-3-5-16/h1-13,20H,19H2
InChIKey
SWMYCBMHIQDTSZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
S(=O)(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.631998
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1317697
LogD (pH = 7.4)
3.1104252
Log P
3.1322722
Molar Refractivity
93.8314
Polarizability
36.65088
Polar Surface Area
81.42
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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