Molecule

ID:44098

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(2)17(3)15(19)16-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,19)
InChIKey
GRZXAQPDZOWXCI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1
Isomeric Smiles
C1(=C(N(C(=O)NC1c1ccccc1)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.454376
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4639784
LogD (pH = 7.4)
1.463978
Log P
1.4639784
Molar Refractivity
76.3306
Polarizability
29.046402
Polar Surface Area
58.64
Rotatable Bonds
4
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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