Molecule

ID:112309

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O
Molecular Mass
142.23862
Exact Mass
142.1357652
Charge
0
InChI
InChI=1S/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2
InChIKey
ZHPBLHYKDKSZCQ-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCCCCC1
Isomeric Smiles
OCC1CCCCCCC1
Calculated Properties
JChem
Acid pKa
17.681559
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4848435
LogD (pH = 7.4)
2.4848435
Log P
2.4848435
Molar Refractivity
43.2083
Polarizability
17.201416
Polar Surface Area
20.23
Rotatable Bonds
1
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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