Molecule

ID:124505

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄
Molecular Mass
261.2732
Exact Mass
261.10010797
Charge
0
InChI
InChI=1S/C14H15NO4/c1-14(10-5-3-2-4-6-10)9-11(16)15(13(14)19)8-7-12(17)18/h2-6H,7-9H2,1H3,(H,17,18)
InChIKey
HJJOGIJWCDBDER-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1C(=O)CC(C1=O)(C)c1ccccc1
Isomeric Smiles
N1(C(=O)C(CC1=O)(c1ccccc1)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.212893
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.12848578
LogD (pH = 7.4)
-1.8466372
Log P
1.1780051
Molar Refractivity
67.1326
Polarizability
26.169182
Polar Surface Area
74.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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