Molecule

ID:72208

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKey
VAJFEOKPKHIPEN-UHFFFAOYSA-N
Canonic Smiles
CC1COC(=O)N1
Isomeric Smiles
C1(NC(=O)OC1)C
Calculated Properties
JChem
Acid pKa
12.96323
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.057728942
LogD (pH = 7.4)
0.057727903
Log P
0.057728954
Molar Refractivity
23.436
Polarizability
9.348352
Polar Surface Area
38.33
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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