Molecule

ID:2843

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChIKey
ZWRUINPWMLAQRD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCO
Isomeric Smiles
CCCCCCCCCO
Calculated Properties
JChem
LogD (pH = 7.4)
3.03
LogD (pH = 5.5)
3.03
Log P
3.03
Rotatable Bonds
7
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
19.52
Molar Refractivity
45.14
LOG S
-2.92
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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