Molecule

ID:90478

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O
Molecular Mass
156.2652
Exact Mass
156.15141526
Charge
0
InChI
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKey
KSMVZQYAVGTKIV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC=O
Isomeric Smiles
O=CCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.43
LogD (pH = 5.5)
3.43
Log P
3.43
Rotatable Bonds
8
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
20.66
Molar Refractivity
48.55
LOG S
-3.37
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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