Molecule
ID:106921
General Information
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-4-9(5-2)7-6-8(3)10/h8-10H,4-7H2,1-3H3
InChIKey
DYNOLYWQCYQCKX-UHFFFAOYSA-N
Canonic Smiles
CCC(CCC(O)C)CC
Isomeric Smiles
CCC(CC)CCC(C)O
Calculated Properties
JChem
Acid pKa
17.609026
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.842622
LogD (pH = 7.4)
2.842622
Log P
2.842622
Molar Refractivity
44.9053
Polarizability
17.937511
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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