Molecule

ID:109082

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChIKey
PAPBSGBWRJIAAV-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCO1
Isomeric Smiles
O=C1CCCCCO1
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
-7.03
Polar Surface Area
26.30
Polarizability
11.99
Molar Refractivity
29.51
LOG S
-0.61
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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