Molecule

ID:59140

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-4-9(10(13)14-5-2)12-7-8(3)6-11-12/h6-7,9H,4-5H2,1-3H3
InChIKey
RYZXOZWWEVSPNZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1ncc(c1)C)CC
Isomeric Smiles
n1cc(cn1C(C(=O)OCC)CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9864057
LogD (pH = 7.4)
1.986498
Log P
1.9864992
Molar Refractivity
64.6228
Polarizability
20.72692
Polar Surface Area
44.12
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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