Molecule

ID:89723

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂
Molecular Mass
103.11976
Exact Mass
103.06332853
Charge
0
InChI
InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
InChIKey
APNSGVMLAYLYCT-UHFFFAOYSA-N
Canonic Smiles
CC(CON=O)C
Isomeric Smiles
O(CC(C)C)N=O
Calculated Properties
JChem
LogD (pH = 7.4)
1.79
LogD (pH = 5.5)
1.79
Log P
1.79
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-1.96
Polar Surface Area
38.66
Polarizability
10.61
Molar Refractivity
26.95
LOG S
-1.37
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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