Molecule

ID:86627

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₄S
Molecular Mass
330.35836
Exact Mass
330.06742794
Charge
0
InChI
InChI=1S/C16H14N2O4S/c1-2-22-16(21)15(20)13(14(19)12-9-6-10-23-12)18-17-11-7-4-3-5-8-11/h3-10,17H,2H2,1H3
InChIKey
JFBYLNDVWHLQJS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)/C(=N/Nc1ccccc1)/C(=O)c1cccs1
Isomeric Smiles
N(=C(\C(=O)C(=O)OCC)/C(=O)c1cccs1)/Nc1ccccc1
Calculated Properties
JChem
Acid pKa
9.756227
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.8326845
LogD (pH = 7.4)
4.830835
Log P
4.8327084
Molar Refractivity
87.093
Polarizability
32.455887
Polar Surface Area
84.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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