Molecule

ID:112677

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀O
Molecular Mass
262.4302
Exact Mass
262.22966558
Charge
0
InChI
InChI=1S/C18H30O/c1-3-4-5-6-7-8-12-15-18(2,19)16-17-13-10-9-11-14-17/h9-11,13-14,19H,3-8,12,15-16H2,1-2H3
InChIKey
YUXGIROLNZPGIZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(Cc1ccccc1)(O)C
Isomeric Smiles
CCCCCCCCCC(C)(O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.946451
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.826212
LogD (pH = 7.4)
5.826212
Log P
5.826212
Molar Refractivity
83.4169
Polarizability
33.030277
Polar Surface Area
20.23
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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