Molecule

ID:38570

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-9-7-5-6-8-10(9)11(12(16)17)15-13(18)19-14(2,3)4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKey
OGMPKTUPLFYBGH-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(c1ccccc1C)C(=O)O
Isomeric Smiles
c1ccc(c(c1)C(C(=O)O)NC(=O)OC(C)(C)C)C
Calculated Properties
JChem
Acid pKa
3.9848514
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2704415
LogD (pH = 7.4)
-0.37322187
Log P
2.7944727
Molar Refractivity
70.2755
Polarizability
27.42054
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
Molecule Details
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References
Bioactivity
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