Molecule

ID:27684

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₂S₂
Molecular Mass
304.38728
Exact Mass
304.03401963
Charge
0
InChI
InChI=1S/C14H12N2O2S2/c17-20(18,16-10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)15-11-19/h1-9,16H,10H2
InChIKey
GUJFGUZSUVLWEG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
Isomeric Smiles
S(=O)(=O)(NCc1ccccc1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
Acid pKa
10.032859
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5492392
LogD (pH = 7.4)
3.548356
Log P
3.549251
Molar Refractivity
84.7881
Polarizability
32.72464
Polar Surface Area
58.53
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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