Molecule

ID:14233

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄
Molecular Mass
261.2732
Exact Mass
261.10010797
Charge
0
InChI
InChI=1S/C14H15NO4/c1-9-2-4-10(5-3-9)6-11-7-12(16)15(14(11)19)8-13(17)18/h2-5,11H,6-8H2,1H3,(H,17,18)
InChIKey
PVQBMRARXZDVQT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)CC(C1=O)Cc1ccc(cc1)C
Isomeric Smiles
N1(C(=O)C(CC1=O)Cc1ccc(cc1)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.768495
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.389661
LogD (pH = 7.4)
-1.9335998
Log P
1.3429681
Molar Refractivity
67.5744
Polarizability
26.097122
Polar Surface Area
74.68
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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