Molecule

ID:77881

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3
InChIKey
MVUMJYQUKKUOHO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/N(C)C
Isomeric Smiles
N(/C=C/C(=O)OCC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8570169
LogD (pH = 7.4)
0.8570176
Log P
0.8570176
Molar Refractivity
40.5136
Polarizability
15.291478
Polar Surface Area
29.54
Rotatable Bonds
4
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
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References
Bioactivity
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