Molecule

ID:61714

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₂
Molecular Mass
211.30064
Exact Mass
211.15722892
Charge
0
InChI
InChI=1S/C12H21NO2/c1-11(2,3)15-10(14)13-9-5-8-12(13)6-4-7-12/h4-9H2,1-3H3
InChIKey
FFHCAKPTFKJGPF-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC21CCC2)OC(C)(C)C
Isomeric Smiles
C1CC2(N(C1)C(=O)OC(C)(C)C)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.330014
LogD (pH = 7.4)
2.330014
Log P
2.330014
Molar Refractivity
58.9313
Polarizability
23.27808
Polar Surface Area
29.54
Rotatable Bonds
2
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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