Molecule

ID:110768

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₄O₂
Molecular Mass
354.52556
Exact Mass
354.25588033
Charge
0
InChI
InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3
InChIKey
SKRXBZIJSNMVFA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
Isomeric Smiles
CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
Calculated Properties
JChem
LogD (pH = 7.4)
8.16
LogD (pH = 5.5)
8.16
Log P
8.16
Rotatable Bonds
14
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.18
Polar Surface Area
26.30
Polarizability
45.06
Molar Refractivity
108.88
LOG S
-9.56
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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