Molecule
ID:73708
General Information
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3
InChIKey
YBWJKTAELMMCHQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1CO1
Isomeric Smiles
O1C(C1)C(=O)C
Calculated Properties
JChem
Acid pKa
17.873135
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.02741039
LogD (pH = 7.4)
-0.02741039
Log P
-0.02741039
Molar Refractivity
20.4245
Polarizability
8.181739
Polar Surface Area
29.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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