Molecule

ID:59526

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-5(2)10-7(9)4-6(3)8/h4-5H,8H2,1-3H3/b6-4-
InChIKey
YCKAGGHNUHZKCL-XQRVVYSFSA-N
Canonic Smiles
CC(OC(=O)/C=C(\N)/C)C
Isomeric Smiles
C(=C\C(=O)OC(C)C)(/C)\N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.53030366
LogD (pH = 7.4)
0.53030366
Log P
0.53030366
Molar Refractivity
40.6822
Polarizability
15.291478
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Acid pKa
19.936476
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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