Molecule

ID:38772

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-8-6-9(2)11(10(7-8)12(16)17)15-13(18)19-14(3,4)5/h6-7H,1-5H3,(H,15,18)(H,16,17)
InChIKey
ITWQZQYNZFDETR-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)Nc1c(C)cc(cc1C(=O)O)C
Isomeric Smiles
c1(cc(cc(c1NC(=O)OC(C)(C)C)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.206822
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2977504
LogD (pH = 7.4)
0.12439682
Log P
3.5686326
Molar Refractivity
73.6888
Polarizability
27.310919
Polar Surface Area
75.63
Rotatable Bonds
4
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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