Molecule

ID:16539

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄S
Molecular Mass
241.26364
Exact Mass
241.04087884
Charge
0
InChI
InChI=1S/C10H11NO4S/c1-4-7(10(14)15)9(11-6(3)13)16-8(4)5(2)12/h1-3H3,(H,11,13)(H,14,15)
InChIKey
BPZXHDJOSDIPCL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1sc(c(c1C(=O)O)C)C(=O)C
Isomeric Smiles
c1(c(sc(c1C)C(=O)C)NC(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5278256
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.2964231
LogD (pH = 7.4)
-1.6984911
Log P
1.6684854
Molar Refractivity
59.671
Polarizability
21.895086
Polar Surface Area
83.47
Rotatable Bonds
3
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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