Molecule

ID:134718

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O
Molecular Mass
86.1323
Exact Mass
86.07316494
Charge
0
InChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey
XNLICIUVMPYHGG-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)C
Isomeric Smiles
CC(=O)CCC
Calculated Properties
JChem
Acid pKa
19.646713
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2513844
LogD (pH = 7.4)
1.2513844
Log P
1.2513844
Molar Refractivity
25.4227
Polarizability
10.010134
Polar Surface Area
17.07
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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