Molecule

ID:12539

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-21-13-5-3-2-4-12(13)16-8-10-17(11-9-16)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKey
XYMOYUJPBNIGDX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCN(CC1)C(=O)CCC(=O)O
Isomeric Smiles
C1N(CCN(C1)C(=O)CCC(=O)O)c1ccccc1OC
Calculated Properties
JChem
Acid pKa
4.171371
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.5430104
LogD (pH = 7.4)
-2.2433364
Log P
0.7138217
Molar Refractivity
78.1644
Polarizability
29.757475
Polar Surface Area
70.08
Rotatable Bonds
5
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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