Molecule

ID:39170

General Information
Structure
Molecular Formula
C₁₀H₁₉NO₅
Molecular Mass
233.26156
Exact Mass
233.12632271
Charge
0
InChI
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)
InChIKey
SZVRVSZFEDIMFM-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(C(O)(C)C)C(=O)O
Isomeric Smiles
C(C(C)(C)O)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9310431
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0121605
LogD (pH = 7.4)
-2.633649
Log P
0.5636278
Molar Refractivity
55.971
Polarizability
22.32058
Polar Surface Area
95.86
Rotatable Bonds
5
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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