Molecule

ID:74484

General Information
Structure
MolImage
Molecular Formula
C₅H₈O
Molecular Mass
84.11642
Exact Mass
84.05751488
Charge
0
InChI
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
InChIKey
BGTOWKSIORTVQH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC1
Isomeric Smiles
O=C1CCCC1
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
-7.35
Polar Surface Area
17.07
Polarizability
9.30
Molar Refractivity
23.65
LOG S
-0.25
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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