Molecule

ID:89160

General Information
Structure
MolImage
Molecular Formula
C₂H₅NO₂
Molecular Mass
75.0666
Exact Mass
75.03202841
Charge
0
InChI
InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)
InChIKey
GTCAXTIRRLKXRU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)N
Isomeric Smiles
NC(=O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.41
LogD (pH = 5.5)
-0.41
Log P
-0.41
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.23
Polar Surface Area
52.32
Polarizability
6.69
Molar Refractivity
16.09
LOG S
0.41
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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