Molecule

ID:109220

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O
Molecular Mass
234.37704
Exact Mass
234.19836545
Charge
0
InChI
InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChIKey
WMVJWKURWRGJCI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(c(c1)C(CC)(C)C)O)(C)C
Isomeric Smiles
CCC(C)(C)c1ccc(O)c(c1)C(C)(C)CC
Calculated Properties
JChem
Acid pKa
10.842164
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.648928
LogD (pH = 7.4)
5.648774
Log P
5.6489305
Molar Refractivity
74.5727
Polarizability
29.237127
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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