Molecule

ID:27694

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂S₂
Molecular Mass
318.41386
Exact Mass
318.0496697
Charge
0
InChI
InChI=1S/C15H14N2O2S2/c18-21(19,15-8-6-14(7-9-15)16-12-20)17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-11H2
InChIKey
UOFBUEDYWWDJLK-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(N=C=S)cc1)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
10.046302
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8379009
LogD (pH = 7.4)
3.8370445
Log P
3.837912
Molar Refractivity
89.5431
Polarizability
34.56897
Polar Surface Area
58.53
Rotatable Bonds
5
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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