Molecule

ID:134261

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₃
Molecular Mass
235.27898
Exact Mass
235.12084341
Charge
0
InChI
InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)
InChIKey
YIVZYFDBEPMPNL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Cc1ccccc1)NC(=O)C
Isomeric Smiles
CCOC(=O)C(Cc1ccccc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
12.595008
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3991636
LogD (pH = 7.4)
1.3991612
Log P
1.3991637
Molar Refractivity
64.0778
Polarizability
25.196188
Polar Surface Area
55.4
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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