Molecule

ID:27668

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₃S₂
Molecular Mass
320.38668
Exact Mass
320.02893425
Charge
0
InChI
InChI=1S/C14H12N2O3S2/c1-19-13-6-2-12(3-7-13)16-21(17,18)14-8-4-11(5-9-14)15-10-20/h2-9,16H,1H3
InChIKey
PHUBRPIFYJHVKW-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OC
Isomeric Smiles
S(=O)(=O)(Nc1ccc(cc1)OC)c1ccc(N=C=S)cc1
Calculated Properties
JChem
Acid pKa
8.028143
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.323926
LogD (pH = 7.4)
3.244754
Log P
3.3250651
Molar Refractivity
86.4163
Polarizability
33.401905
Polar Surface Area
67.76
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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