Molecule

ID:87166

General Information
Structure
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Molecular Formula
C₄H₈O
Molecular Mass
72.10572
Exact Mass
72.05751488
Charge
0
InChI
InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
InChIKey
FASUFOTUSHAIHG-UHFFFAOYSA-N
Canonic Smiles
COCC=C
Isomeric Smiles
O(CC=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.85579926
LogD (pH = 7.4)
0.85579926
Log P
0.85579926
Molar Refractivity
22.1752
Polarizability
8.548852
Polar Surface Area
9.23
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
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Bioactivity
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