Molecule

ID:108164

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O
Molecular Mass
222.36634
Exact Mass
222.19836545
Charge
0
InChI
InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
InChIKey
FQTLCLSUCSAZDY-UHFFFAOYSA-N
Canonic Smiles
C=CC(CCC=C(CCC=C(C)C)C)(O)C
Isomeric Smiles
CC(=CCC/C(=C/CCC(C)(O)C=C)/C)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.31
LogD (pH = 5.5)
4.31
Log P
4.31
Rotatable Bonds
7
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.29
Polar Surface Area
20.23
Polarizability
28.71
Molar Refractivity
74.01
LOG S
-4.15
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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