Molecule

ID:57750

General Information
Structure
Molecular Formula
C₁₃H₁₀N₂O₃S
Molecular Mass
274.2951
Exact Mass
274.04121319
Charge
0
InChI
InChI=1S/C13H10N2O3S/c16-11-7-3-2-6-10(11)14-13-9-5-1-4-8-12(9)19(17,18)15-13/h1-8,16H,(H,14,15)
InChIKey
ZVEMGZCIQSPWEG-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1NC1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)Nc1c(O)cccc1
Calculated Properties
JChem
Acid pKa
9.707934
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.9469917
LogD (pH = 7.4)
1.9449304
Log P
1.9470509
Molar Refractivity
72.6874
Polarizability
27.64329
Polar Surface Area
78.76
Rotatable Bonds
1
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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