Molecule

ID:91427

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₂
Molecular Mass
142.19556
Exact Mass
142.09937969
Charge
0
InChI
InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChIKey
LJOODBDWMQKMFB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCCCC1
Isomeric Smiles
OC(=O)CC1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.35
LogD (pH = 5.5)
1.41
Log P
2.08
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.94
Polar Surface Area
37.30
Polarizability
15.95
Molar Refractivity
38.42
LOG S
-2.27
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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