Molecule

ID:110960

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂
Molecular Mass
103.11976
Exact Mass
103.06332853
Charge
0
InChI
InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
YNTOKMNHRPSGFU-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)N
Isomeric Smiles
CCCOC(=O)N
Calculated Properties
JChem
Acid pKa
15.647552
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.46833315
LogD (pH = 7.4)
0.46833315
Log P
0.46833315
Molar Refractivity
25.3621
Polarizability
10.050503
Polar Surface Area
52.32
Rotatable Bonds
3
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
References
Bioactivity
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