Molecule

ID:57751

General Information
Structure
Molecular Formula
C₁₃H₁₀N₂O₃S
Molecular Mass
274.2951
Exact Mass
274.04121319
Charge
0
InChI
InChI=1S/C13H10N2O3S/c16-10-5-3-4-9(8-10)14-13-11-6-1-2-7-12(11)19(17,18)15-13/h1-8,16H,(H,14,15)
InChIKey
RNRPCULUYYYBCW-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)Nc1cc(O)ccc1
Calculated Properties
JChem
Acid pKa
9.664003
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.9469852
LogD (pH = 7.4)
1.9447055
Log P
1.9470509
Molar Refractivity
72.6874
Polarizability
27.642315
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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