Molecule

ID:51269

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-7-8(9(13)14-5)6-11-12(7)10(2,3)4/h6H,1-5H3
InChIKey
BQOZXFDKIAJZTP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnn(c1C)C(C)(C)C
Isomeric Smiles
c1(c(n(nc1)C(C)(C)C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6580777
LogD (pH = 7.4)
1.6581035
Log P
1.6581038
Molar Refractivity
65.942
Polarizability
20.630032
Polar Surface Area
44.12
Rotatable Bonds
3
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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