Molecule

ID:128705

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3
InChIKey
RPQUGMLCZLGZTG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)C(=C)C#N
Isomeric Smiles
N#CC(=C)C(=O)OCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.826207
LogD (pH = 7.4)
3.826207
Log P
3.826207
Molar Refractivity
59.3917
Polarizability
23.196735
Polar Surface Area
50.09
Rotatable Bonds
9
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
References
Bioactivity
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