Molecule

ID:65296

General Information
Structure
Molecular Formula
C₁₂H₂₁NO₂
Molecular Mass
211.30064
Exact Mass
211.15722892
Charge
0
InChI
InChI=1S/C12H21NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKey
LKUCYFONIRHGSQ-UHFFFAOYSA-N
Canonic Smiles
C=CC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1C(CCN(C1)C(=O)OC(C)(C)C)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3682804
LogD (pH = 7.4)
2.3682804
Log P
2.3682804
Molar Refractivity
61.0242
Polarizability
23.760777
Polar Surface Area
29.54
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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