Molecule

ID:38189

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c1-4-10-6(9)7(2,3)5-8/h4H2,1-3H3
InChIKey
FYGRPGOHQCPZCV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C#N)(C)C
Isomeric Smiles
CC(C)(C#N)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3285342
LogD (pH = 7.4)
1.3285342
Log P
1.3285342
Molar Refractivity
36.5603
Polarizability
14.263023
Polar Surface Area
50.09
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
No Data Available
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Molecule Details
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References
Bioactivity
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