Molecule

ID:108344

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c15-11(13(17)18)7-4-8-12(16)14(19)20-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15-16H2,(H,17,18)
InChIKey
JVEUTCWLEJSEDI-UHFFFAOYSA-N
Canonic Smiles
O=C(C(CCCC(C(=O)O)N)N)OCc1ccccc1
Isomeric Smiles
NC(CCCC(N)C(=O)OCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.0945888
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.2821484
LogD (pH = 7.4)
-1.7118778
Log P
-1.5181762
Molar Refractivity
73.0211
Polarizability
29.404163
Polar Surface Area
115.64
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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