Molecule

ID:109281

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O
Molecular Mass
186.33424
Exact Mass
186.19836545
Charge
0
InChI
InChI=1S/C12H26O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h12-13H,3-11H2,1-2H3
InChIKey
ZGSIAHIBHSEKPB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(CCC)O
Isomeric Smiles
CCCCCCCCC(O)CCC
Calculated Properties
JChem
Acid pKa
18.516277
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4118314
LogD (pH = 7.4)
4.4118314
Log P
4.4118314
Molar Refractivity
58.6837
Polarizability
23.4756
Polar Surface Area
20.23
Rotatable Bonds
9
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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