Molecule

ID:54808

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(2)8-3/h5,8H,4H2,1-3H3/b6-5-
InChIKey
FARYTWBWLZAXNK-WAYWQWQTSA-N
Canonic Smiles
CCOC(=O)/C=C(\NC)/C
Isomeric Smiles
C(=C(\NC)/C)\C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.08601928
LogD (pH = 7.4)
0.5361074
Log P
0.54630905
Molar Refractivity
41.038
Polarizability
15.291478
Polar Surface Area
38.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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