Molecule

ID:132829

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂O₄S
Molecular Mass
286.34732
Exact Mass
286.09872807
Charge
0
InChI
InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)
InChIKey
SJRHYONYKZIRPM-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CO
Isomeric Smiles
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CO
Calculated Properties
JChem
LogD (pH = 7.4)
0.12
LogD (pH = 5.5)
0.81
Log P
1.01
Rotatable Bonds
5
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
5.63
Polar Surface Area
95.50
Polarizability
29.22
Molar Refractivity
72.04
LOG S
-2.38
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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