Molecule

ID:89885

General Information
Structure
MolImage
Molecular Formula
C₅H₈O
Molecular Mass
84.11642
Exact Mass
84.05751488
Charge
0
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3
InChIKey
IDYNOORNKYEHHO-UHFFFAOYSA-N
Canonic Smiles
CC#CCCO
Isomeric Smiles
OCCC#CC
Calculated Properties
JChem
Acid pKa
16.139648
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8345973
LogD (pH = 7.4)
0.8345973
Log P
0.8345973
Molar Refractivity
26.0973
Polarizability
9.459557
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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