Molecule

ID:44700

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-9(14)10-2-3-11(12-8-10)13-4-6-15-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
OFDRYHNFFIICNW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(nc1)N1CCOCC1
Isomeric Smiles
c1(ncc(C(=O)C)cc1)N1CCOCC1
Calculated Properties
JChem
Acid pKa
16.0708
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.66868436
LogD (pH = 7.4)
0.7953212
Log P
0.79722184
Molar Refractivity
58.1205
Polarizability
21.6452
Polar Surface Area
42.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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