Molecule

ID:61659

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3
InChIKey
LARQASBBVGBMDA-UHFFFAOYSA-N
Canonic Smiles
N#CCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)CC#N)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4099755
LogD (pH = 7.4)
1.4099755
Log P
1.4099755
Molar Refractivity
61.6248
Polarizability
23.862705
Polar Surface Area
53.33
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
No Data Available
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Molecule Details
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References
Bioactivity
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