Molecule

ID:1407

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀O₂
Molecular Mass
172.2646
Exact Mass
172.14632988
Charge
0
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKey
IJXHLVMUNBOGRR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)OC
Isomeric Smiles
C(=O)(CCCCCCCC)OC
Calculated Properties
JChem
LogD (pH = 7.4)
3.29
LogD (pH = 5.5)
3.29
Log P
3.29
Rotatable Bonds
8
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.02
Polar Surface Area
26.30
Polarizability
21.67
Molar Refractivity
49.65
LOG S
-3.23
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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