Molecule

ID:59881

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c17-12(18)8-2-1-5-9-16-13(19)10-6-3-4-7-11(10)15-14(16)20/h3-4,6-7H,1-2,5,8-9H2,(H,15,20)(H,17,18)
InChIKey
DVGUQZCXAITIRY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)CCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8419511
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.8517285
LogD (pH = 7.4)
-0.7292337
Log P
2.5134182
Molar Refractivity
73.4138
Polarizability
27.107492
Polar Surface Area
86.71
Rotatable Bonds
6
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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