Molecule

ID:8087

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₂
Molecular Mass
266.33432
Exact Mass
266.13067982
Charge
0
InChI
InChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3
InChIKey
ZSLCVLSXAOHWBQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)CCc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(c1ccc(cc1)CCc1ccc(C(=O)C)cc1)C
Calculated Properties
JChem
Acid pKa
15.917013
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6249034
LogD (pH = 7.4)
3.6249034
Log P
3.6249034
Molar Refractivity
81.2018
Polarizability
30.938234
Polar Surface Area
34.14
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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