Molecule

ID:34934

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₃S
Molecular Mass
298.3165
Exact Mass
298.04121319
Charge
0
InChI
InChI=1S/C15H10N2O3S/c18-14(13-10-6-2-4-8-12(10)21-17-13)16-11-7-3-1-5-9(11)15(19)20/h1-8H,(H,16,18)(H,19,20)
InChIKey
YWNQYDZAYSGCOH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1NC(=O)c1nsc2c1cccc2
Isomeric Smiles
c1(nsc2c1cccc2)C(=O)Nc1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.547333
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8776385
LogD (pH = 7.4)
0.46275595
Log P
3.8237603
Molar Refractivity
80.651
Polarizability
30.603802
Polar Surface Area
79.29
Rotatable Bonds
3
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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