Molecule

ID:109389

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O
Molecular Mass
158.28108
Exact Mass
158.16706532
Charge
0
InChI
InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
InChIKey
ACUZDYFTRHEKOS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(O)C
Isomeric Smiles
CCCCCCCCC(C)O
Calculated Properties
JChem
Acid pKa
17.683062
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4447403
LogD (pH = 7.4)
3.4447403
Log P
3.4447403
Molar Refractivity
49.5587
Polarizability
19.78336
Polar Surface Area
20.23
Rotatable Bonds
7
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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