Molecule

ID:130984

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₅S
Molecular Mass
292.3519
Exact Mass
292.10929275
Charge
0
InChI
InChI=1S/C11H20N2O5S/c1-7(14)12-6-19-5-8(9(15)16)13-10(17)18-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1
InChIKey
HLCTYBOTPCIHTG-QMMMGPOBSA-N
Canonic Smiles
CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.8611197
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.6270258
LogD (pH = 7.4)
-3.2170782
Log P
0.01616717
Molar Refractivity
70.2851
Polarizability
27.8373
Polar Surface Area
104.73
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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