Molecule

ID:28506

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c1-7-3-2-5-4-6/h2-3H2,1H3
InChIKey
IVMHNKJWTRJTRU-UHFFFAOYSA-N
Canonic Smiles
COCCN=C=O
Isomeric Smiles
C(=NCCOC)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.08959504
LogD (pH = 7.4)
-0.08959504
Log P
-0.08959504
Molar Refractivity
24.3817
Polarizability
9.360006
Polar Surface Area
38.66
Rotatable Bonds
3
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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