Molecule

ID:63985

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-2-20-15(19)13-12(17)8-9-16(14(13)18)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
UHKZGSSYNVLIHY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C(=O)CCN(C1=O)Cc1ccccc1
Isomeric Smiles
C(C)OC(=O)C1C(=O)CCN(Cc2ccccc2)C1=O
Calculated Properties
JChem
Acid pKa
3.19976
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.116875835
LogD (pH = 7.4)
-0.32334167
Log P
1.5391135
Molar Refractivity
72.7168
Polarizability
28.246687
Polar Surface Area
63.68
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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