Molecule

ID:14537

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₄S
Molecular Mass
278.2838
Exact Mass
278.03612781
Charge
0
InChI
InChI=1S/C12H10N2O4S/c15-12(16)9-4-3-5-10(8-9)19(17,18)14-11-6-1-2-7-13-11/h1-8H,(H,13,14)(H,15,16)
InChIKey
CSOJEOIOHIORGC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccn1
Isomeric Smiles
c1(S(=O)(=O)Nc2ccccn2)cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7652545
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.27653506
LogD (pH = 7.4)
-2.2442296
Log P
1.3143489
Molar Refractivity
68.303
Polarizability
26.693752
Polar Surface Area
96.36
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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