Molecule

ID:62023

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-20-15(19)8-13(17)12-7-14(18)16(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey
VNUDHZLRQKYFMH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CN(C(=O)C1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CC(C(=O)CC(=O)OC)C1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
11.33497
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3482726
LogD (pH = 7.4)
1.3482229
Log P
1.1149399
Molar Refractivity
72.5174
Polarizability
28.246687
Polar Surface Area
63.68
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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