Molecule

ID:113930

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-10(17)15-6-8-16(9-7-15)13(18)11-4-2-3-5-12(11)14(19)20/h2-5H,6-9H2,1H3,(H,19,20)
InChIKey
ASOGGXZAKFAXHX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)C(=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)N1CCN(C(=O)C)CC1
Calculated Properties
JChem
Acid pKa
3.656157
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.838376
LogD (pH = 7.4)
-3.319795
Log P
0.0028350663
Molar Refractivity
72.5073
Polarizability
27.094841
Polar Surface Area
77.92
Rotatable Bonds
2
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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