Molecule

ID:92452

General Information
Structure
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Molecular Formula
C₅H₆O
Molecular Mass
82.10054
Exact Mass
82.04186481
Charge
0
InChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChIKey
BZKFMUIJRXWWQK-UHFFFAOYSA-N
Canonic Smiles
C1CC=CC1=O
Isomeric Smiles
O=C1CCC=C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.04
LogD (pH = 5.5)
1.04
Log P
1.04
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.43
Polar Surface Area
17.07
Polarizability
8.54
Molar Refractivity
24.74
LOG S
-0.62
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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