Molecule

ID:23658

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-10(2)15(21)17-12-6-3-5-11(9-12)16-13(18)7-4-8-14(19)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)
InChIKey
BOAVSOZXDDAZDA-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)NC(=O)C(C)C)CCCC(=O)O
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CCCC(=O)O)ccc1)C(C)C
Calculated Properties
JChem
Acid pKa
4.001677
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.4537485
LogD (pH = 7.4)
-1.1964874
Log P
1.9616201
Molar Refractivity
80.4797
Polarizability
29.849037
Polar Surface Area
95.5
Rotatable Bonds
7
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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