Molecule

ID:110736

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3
InChIKey
JEWXYDDSLPIBBO-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(CC)(O)C
Isomeric Smiles
CCCCCC(C)(O)CC
Calculated Properties
JChem
Acid pKa
19.094189
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9141333
LogD (pH = 7.4)
2.9141333
Log P
2.9141333
Molar Refractivity
44.9179
Polarizability
17.937511
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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