Molecule

ID:33377

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11/h9H,2-4,6-8H2,1H3
InChIKey
FQXSZQCXVCEMJN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)CC#N
Isomeric Smiles
N#CCN1CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.25168124
LogD (pH = 7.4)
0.30124438
Log P
0.3019143
Molar Refractivity
52.9516
Polarizability
20.572672
Polar Surface Area
53.33
Rotatable Bonds
4
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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