Molecule

ID:78013

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O₂
Molecular Mass
160.2539
Exact Mass
160.14632988
Charge
0
InChI
InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKey
ALVZNPYWJMLXKV-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5914866
LogD (pH = 7.4)
1.5914867
Log P
1.5914867
Molar Refractivity
47.0686
Polarizability
18.543177
Polar Surface Area
40.46
Rotatable Bonds
8
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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