Molecule

ID:125285

General Information
Structure
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3
InChIKey
CQVWXNBVRLKXPE-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)C(=C)C#N)CCCCCC
Isomeric Smiles
C=C(C#N)C(=O)OC(C)CCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7982132
LogD (pH = 7.4)
3.7982132
Log P
3.7982132
Molar Refractivity
59.2095
Polarizability
23.196735
Polar Surface Area
50.09
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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