Molecule

ID:112042

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₂
Molecular Mass
248.36056
Exact Mass
248.17763001
Charge
0
InChI
InChI=1S/C16H24O2/c17-16(18)14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2,(H,17,18)
InChIKey
IISIYJPTBDSIFM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCc1ccccc1
Isomeric Smiles
OC(=O)CCCCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.511738
LogD (pH = 7.4)
2.7526028
Log P
5.1675434
Molar Refractivity
74.1736
Polarizability
29.18541
Polar Surface Area
37.3
Rotatable Bonds
10
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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