Molecule

ID:38124

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-2-15-11(14)10-8-6-4-3-5-7-9(8)12-13-10/h2-7H2,1H3,(H,12,13)
InChIKey
JWDQKFKVGKGCCA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]nc2c1CCCCC2
Isomeric Smiles
c1([nH]nc2c1CCCCC2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.264424
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3284056
LogD (pH = 7.4)
2.3278756
Log P
2.3284547
Molar Refractivity
58.0562
Polarizability
21.74925
Polar Surface Area
54.98
Rotatable Bonds
3
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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