Molecule

ID:112009

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂O₂
Molecular Mass
270.36608
Exact Mass
270.16197994
Charge
0
InChI
InChI=1S/C18H22O2/c1-2-3-4-5-6-11-18(19)20-17-13-12-15-9-7-8-10-16(15)14-17/h7-10,12-14H,2-6,11H2,1H3
InChIKey
CXVZBUOSDMLXNK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)Oc1ccc2c(c1)cccc2
Isomeric Smiles
CCCCCCCC(=O)Oc1ccc2ccccc2c1
Calculated Properties
JChem
LogD (pH = 7.4)
5.49
LogD (pH = 5.5)
5.49
Log P
5.49
Rotatable Bonds
8
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.18
Polar Surface Area
26.30
Polarizability
32.26
Molar Refractivity
81.27
LOG S
-6.58
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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