Molecule

ID:2569

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂
Molecular Mass
103.11976
Exact Mass
103.06332853
Charge
0
InChI
InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
InChIKey
SURZCVYFPAXNGN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC
Isomeric Smiles
CCOC(=O)NC
Calculated Properties
JChem
Acid pKa
15.216884
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.16948684
LogD (pH = 7.4)
0.16948682
Log P
0.16948684
Molar Refractivity
25.7348
Polarizability
10.050503
Polar Surface Area
38.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.4
LOG S
0.49
Solubility (Water)
3.21e+02 g/l
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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