Molecule

ID:87107

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈O₂
Molecular Mass
276.41372
Exact Mass
276.20893014
Charge
0
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,19H,2-11H2,1H3
InChIKey
LQWPEACAJAMZQF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)c1ccc(cc1)O
Isomeric Smiles
O=C(c1ccc(cc1)O)CCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
7.7773824
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.92671
LogD (pH = 7.4)
5.7780848
Log P
5.928982
Molar Refractivity
84.4776
Polarizability
33.101906
Polar Surface Area
37.3
Rotatable Bonds
11
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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