Molecule

ID:85684

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₃S
Molecular Mass
274.2951
Exact Mass
274.04121319
Charge
0
InChI
InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)
InChIKey
UVCJGUGAGLDPAA-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1cc2c(cc1)[nH]c(n2)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
-2.8826087
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.07027719
LogD (pH = 7.4)
0.08845803
Log P
-0.14086309
Molar Refractivity
80.6926
Polarizability
29.480705
Polar Surface Area
83.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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