Molecule

ID:107352

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3
InChIKey
YPMPTULBFPFSEQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C(\N)/C
Isomeric Smiles
CCOC(=O)/C=C(/C)\N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.11372863
LogD (pH = 7.4)
0.113728635
Log P
0.113728635
Molar Refractivity
36.2634
Polarizability
13.457127
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Acid pKa
19.936712
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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