Molecule

ID:90702

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₅
Molecular Mass
291.29918
Exact Mass
291.11067265
Charge
0
InChI
InChI=1S/C15H17NO5/c1-2-20-14(18)13-8-12(17)9-16(13)15(19)21-10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
UIOORSWZRBWXCD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC(=O)CN1C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(=O)CC1C(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.28176
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6994202
LogD (pH = 7.4)
1.6994202
Log P
1.6994202
Molar Refractivity
73.6191
Polarizability
28.97257
Polar Surface Area
72.91
Rotatable Bonds
6
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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