Molecule

ID:23580

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-3-10(2)16-15(21)11-5-4-6-12(9-11)17-13(18)7-8-14(19)20/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKey
CENLXXMXHJRJKK-UHFFFAOYSA-N
Canonic Smiles
CCC(NC(=O)c1cccc(c1)NC(=O)CCC(=O)O)C
Isomeric Smiles
C(=O)(NC(CC)C)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.7227893
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.37078997
LogD (pH = 7.4)
-1.890125
Log P
1.4060407
Molar Refractivity
79.4808
Polarizability
29.650429
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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