Molecule

ID:34317

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃S
Molecular Mass
241.3067
Exact Mass
241.07726435
Charge
0
InChI
InChI=1S/C11H15NO3S/c1-5-15-11(14)9-6(2)7(3)16-10(9)12-8(4)13/h5H2,1-4H3,(H,12,13)
InChIKey
ANBPVZZUAZWQHR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(NC(=O)C)sc(c1C)C
Isomeric Smiles
s1c(c(c(c1C)C)C(=O)OCC)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.362078
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3269556
LogD (pH = 7.4)
3.3265111
Log P
3.3269613
Molar Refractivity
64.0581
Polarizability
23.736048
Polar Surface Area
55.4
Rotatable Bonds
4
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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