Molecule

ID:14136

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₄
Molecular Mass
269.33672
Exact Mass
269.16270822
Charge
0
InChI
InChI=1S/C14H23NO4/c16-13(15-10-5-2-1-3-6-10)9-11(14(17)18)12-7-4-8-19-12/h10-12H,1-9H2,(H,15,16)(H,17,18)
InChIKey
PPPJJHSMLUJGFW-UHFFFAOYSA-N
Canonic Smiles
O=C(CC(C1CCCO1)C(=O)O)NC1CCCCC1
Isomeric Smiles
C1(C(CC(=O)NC2CCCCC2)C(=O)O)CCCO1
Calculated Properties
JChem
Acid pKa
4.480364
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.13047819
LogD (pH = 7.4)
-1.6363721
Log P
1.1884272
Molar Refractivity
69.5817
Polarizability
27.52776
Polar Surface Area
75.63
Rotatable Bonds
5
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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