Molecule

ID:36376

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(11-15(19)20)10-14(18)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,19,20)
InChIKey
OJPVBWSDYHTWRM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)N1CCCC1)CC(=O)O
Isomeric Smiles
C(=O)(N1CCCC1)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.1352696
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.45433518
LogD (pH = 7.4)
-2.1506455
Log P
0.92579204
Molar Refractivity
78.2756
Polarizability
29.75468
Polar Surface Area
70.08
Rotatable Bonds
6
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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