Molecule

ID:111949

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O
Molecular Mass
144.2545
Exact Mass
144.15141526
Charge
0
InChI
InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3
InChIKey
XKRZDNKKANUBPV-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC)(CC)O
Isomeric Smiles
CCCCC(O)(CC)CC
Calculated Properties
JChem
Acid pKa
19.665457
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.992087
LogD (pH = 7.4)
2.9920871
Log P
2.9920871
Molar Refractivity
44.8409
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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