Molecule

ID:14527

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₅S
Molecular Mass
286.30426
Exact Mass
286.06234256
Charge
0
InChI
InChI=1S/C11H14N2O5S/c12-19(17,18)9-6-4-8(5-7-9)13-10(14)2-1-3-11(15)16/h4-7H,1-3H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKey
LWQOMLSINAECDO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)S(=O)(=O)N)CCCC(=O)O
Isomeric Smiles
c1(ccc(cc1)S(=O)(=O)N)NC(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.7885573
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.6268362
LogD (pH = 7.4)
-3.181695
Log P
0.08641837
Molar Refractivity
68.5732
Polarizability
26.672966
Polar Surface Area
126.56
Rotatable Bonds
6
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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