Molecule

ID:43951

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂S
Molecular Mass
220.24772
Exact Mass
220.03064851
Charge
0
InChI
InChI=1S/C10H8N2O2S/c13-9(14)8-6-15-10(12-8)11-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKey
NFVZOGAQSIUAJP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1csc(n1)Nc1ccccc1
Isomeric Smiles
c1(nc(sc1)Nc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9253166
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.214841
LogD (pH = 7.4)
-0.4025598
Log P
2.7996476
Molar Refractivity
56.1101
Polarizability
21.231459
Polar Surface Area
62.22
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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