Molecule

ID:14284

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₃S
Molecular Mass
278.32686
Exact Mass
278.07251332
Charge
0
InChI
InChI=1S/C13H14N2O3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9,15H,14H2,1H3
InChIKey
PKCILPHWDZXVQT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(Nc1ccc(cc1)OC)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
8.692164
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4738425
LogD (pH = 7.4)
1.4552156
Log P
1.4743139
Molar Refractivity
74.0538
Polarizability
28.855509
Polar Surface Area
81.42
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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