Molecule

ID:90517

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
InChIKey
XJLDYKIEURAVBW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)CC
Isomeric Smiles
O=C(CCCCCCC)CC
Calculated Properties
JChem
LogD (pH = 7.4)
3.73
LogD (pH = 5.5)
3.73
Log P
3.73
Rotatable Bonds
7
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.34
Polar Surface Area
17.07
Polarizability
20.45
Molar Refractivity
48.45
LOG S
-3.13
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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