Molecule

ID:36302

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-21-13-6-4-12(5-7-13)17(10-15(19)20)9-14(18)16-8-11-2-3-11/h4-7,11H,2-3,8-10H2,1H3,(H,16,18)(H,19,20)
InChIKey
NEFMLINNVCBWIT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)NCC1CC1)CC(=O)O
Isomeric Smiles
N(CC(=O)NCC1CC1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.135273
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.3032283
LogD (pH = 7.4)
-1.9995396
Log P
1.0768957
Molar Refractivity
77.7799
Polarizability
29.75468
Polar Surface Area
78.87
Rotatable Bonds
8
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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