Molecule

ID:68528

General Information
Structure
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Molecular Formula
C₅H₈O
Molecular Mass
84.11642
Exact Mass
84.05751488
Charge
0
InChI
InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
InChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-N
Canonic Smiles
C#CC(O)(C)C
Isomeric Smiles
CC(C#C)(O)C
Calculated Properties
JChem
Acid pKa
15.321555
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.40665767
LogD (pH = 7.4)
0.40665767
Log P
0.40665767
Molar Refractivity
24.8985
Polarizability
9.459557
Polar Surface Area
20.23
Rotatable Bonds
0
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
No Data Available
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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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