Molecule

ID:70691

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄
Molecular Mass
217.26216
Exact Mass
217.13140809
Charge
0
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3
InChIKey
AIQSXVGBMCJQAG-UHFFFAOYSA-N
Canonic Smiles
OCC1COCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(COCC1)CO)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.016457
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.24147919
LogD (pH = 7.4)
0.24147919
Log P
0.24147919
Molar Refractivity
54.7255
Polarizability
21.70826
Polar Surface Area
59.0
Rotatable Bonds
3
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
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References
Bioactivity
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