Molecule

ID:26336

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₃S
Molecular Mass
284.3745
Exact Mass
284.11946351
Charge
0
InChI
InChI=1S/C13H20N2O3S/c1-5-15(6-2)12(16)10-8(4)9(11(14)19-10)13(17)18-7-3/h5-7,14H2,1-4H3
InChIKey
CQFLXLZREFAIKV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)sc(c1C)C(=O)N(CC)CC
Isomeric Smiles
c1(c(c(c(s1)N)C(=O)OCC)C)C(=O)N(CC)CC
Calculated Properties
JChem
Acid pKa
16.529606
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7585118
LogD (pH = 7.4)
2.7585118
Log P
2.7585118
Molar Refractivity
76.9923
Polarizability
28.436537
Polar Surface Area
72.63
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
No Data Available
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Molecule Details
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References
Bioactivity
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