Molecule

ID:104161

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
InChIKey
SHZIWNPUGXLXDT-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)OCC
Isomeric Smiles
CCCCCC(=O)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.31
LogD (pH = 5.5)
2.31
Log P
2.31
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
17.49
Molar Refractivity
40.59
LOG S
-1.99
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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