Molecule

ID:110583

General Information
Structure
MolImage
Molecular Formula
C₅H₈O
Molecular Mass
84.11642
Exact Mass
84.05751488
Charge
0
InChI
InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
InChIKey
BGCWDXXJMUHZHE-UHFFFAOYSA-N
Canonic Smiles
CC1=CCCO1
Isomeric Smiles
CC1=CCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
0.61
LogD (pH = 5.5)
0.61
Log P
0.61
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.75
Polar Surface Area
9.23
Polarizability
9.53
Molar Refractivity
26.47
LOG S
-0.44
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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