Molecule

ID:59890

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₅S
Molecular Mass
286.30426
Exact Mass
286.06234256
Charge
0
InChI
InChI=1S/C11H14N2O5S/c1-8(14)13-9-2-4-10(5-3-9)19(17,18)12-7-6-11(15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKey
WJPNHFVXBVQRJG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNS(=O)(=O)c1ccc(cc1)NC(=O)C
Isomeric Smiles
S(=O)(=O)(c1ccc(NC(=O)C)cc1)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.2427533
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.4813848
LogD (pH = 7.4)
-3.682528
Log P
-0.24434094
Molar Refractivity
68.7596
Polarizability
26.672806
Polar Surface Area
112.57
Rotatable Bonds
5
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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