Molecule

ID:103760

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₄S
Molecular Mass
276.3525
Exact Mass
276.11437813
Charge
0
InChI
InChI=1S/C11H20N2O4S/c1-7(2)9(11(16)17)13-10(15)8(12-6-14)4-5-18-3/h6-9H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKey
DWZMYBRYTYGZDG-UHFFFAOYSA-N
Canonic Smiles
CSCCC(C(=O)NC(C(=O)O)C(C)C)NC=O
Isomeric Smiles
CSCCC(NC=O)C(=O)NC(C(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.012722
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.3034347
LogD (pH = 7.4)
-2.9578896
Log P
0.19384119
Molar Refractivity
68.8323
Polarizability
27.083027
Polar Surface Area
95.5
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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