Molecule

ID:45364

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-3-16-7-11(14)13-9-6-8(12)4-5-10(9)15-2/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKey
MCVPMHUGIIKXNK-UHFFFAOYSA-N
Canonic Smiles
CCOCC(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
c1(NC(=O)COCC)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.608829
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.34518412
LogD (pH = 7.4)
0.40618294
Log P
0.40704536
Molar Refractivity
63.2866
Polarizability
23.26357
Polar Surface Area
73.58
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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