Molecule

ID:38858

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄Se
Molecular Mass
296.22216
Exact Mass
297.04792909
Charge
0
InChI
InChI=1S/C10H19NO4Se/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey
QJDWZRHRGRTJOH-ZETCQYMHSA-N
Canonic Smiles
C[Se]CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
[C@H](CC[Se]C)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.4863834
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.198763
LogD (pH = 7.4)
-2.6711414
Log P
0.8098
Molar Refractivity
67.7804
Polarizability
21.778166
Polar Surface Area
75.63
Rotatable Bonds
7
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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