Molecule

ID:126292

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c1-3-4-5-11-8(10)7(2)6-9/h2-5H2,1H3
InChIKey
JJJFUHOGVZWXNQ-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(=C)C#N
Isomeric Smiles
N#CC(=C)C(=O)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0479324
LogD (pH = 7.4)
2.0479324
Log P
2.0479324
Molar Refractivity
40.9877
Polarizability
15.847053
Polar Surface Area
50.09
Rotatable Bonds
5
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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