Molecule

ID:132821

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₄
Molecular Mass
237.2518
Exact Mass
237.10010797
Charge
0
InChI
InChI=1S/C12H15NO4/c1-8(14)10(12(16)17-2)13-11(15)9-6-4-3-5-7-9/h3-8,10,14H,1-2H3,(H,13,15)
InChIKey
KHOWDUMYRBCHAC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(O)C)NC(=O)c1ccccc1
Isomeric Smiles
CC(C(C(=O)OC)NC(=O)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.485143
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.60986876
LogD (pH = 7.4)
0.6098688
Log P
0.6098688
Molar Refractivity
61.3432
Polarizability
23.799976
Polar Surface Area
75.63
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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