Molecule

ID:50937

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃O₃S
Molecular Mass
273.35186
Exact Mass
273.11471248
Charge
0
InChI
InChI=1S/C11H19N3O3S/c1-11(2,3)17-10(15)13-9-12-8(7-18-9)6-14(4)16-5/h7H,6H2,1-5H3,(H,12,13,15)
InChIKey
UAIVSSZGUDIGPN-UHFFFAOYSA-N
Canonic Smiles
CON(Cc1csc(n1)NC(=O)OC(C)(C)C)C
Isomeric Smiles
c1(nc(cs1)CN(OC)C)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.108981
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.8631705
LogD (pH = 7.4)
1.8631752
Log P
1.8631834
Molar Refractivity
70.0046
Polarizability
27.03518
Polar Surface Area
63.69
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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