Molecule

ID:86969

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O
Molecular Mass
218.33458
Exact Mass
218.16706532
Charge
0
InChI
InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3
InChIKey
PFUPABFCHVRLLY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)CCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.90
LogD (pH = 5.5)
4.90
Log P
4.90
Rotatable Bonds
8
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.00
Polar Surface Area
17.07
Polarizability
27.43
Molar Refractivity
68.69
LOG S
-5.26
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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