Molecule

ID:69047

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
InChIKey
VSEAAEQOQBMPQF-UHFFFAOYSA-N
Canonic Smiles
O=C1COCCN1
Isomeric Smiles
N1C(=O)COCC1
Calculated Properties
JChem
Acid pKa
13.771143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1522588
LogD (pH = 7.4)
-1.1522589
Log P
-1.1522588
Molar Refractivity
23.847
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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