Molecule

ID:79433

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O
Molecular Mass
260.41432
Exact Mass
260.21401552
Charge
0
InChI
InChI=1S/C18H28O/c1-3-4-5-6-7-8-9-10-11-17-12-14-18(15-13-17)16(2)19/h12-15H,3-11H2,1-2H3
InChIKey
ICORQKDHLXIGHQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCc1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(c1ccc(cc1)CCCCCCCCCC)C
Calculated Properties
JChem
Acid pKa
16.22407
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0454326
LogD (pH = 7.4)
6.0454326
Log P
6.0454326
Molar Refractivity
82.911
Polarizability
32.456745
Polar Surface Area
17.07
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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