Molecule

ID:52629

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)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey
FRNZCPLVDNHRIH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(CC1=O)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(=O)C(C1)C(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
9.647201
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9774622
LogD (pH = 7.4)
1.9750613
Log P
1.7441596
Molar Refractivity
74.0809
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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