Molecule

ID:102362

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀O₂
Molecular Mass
326.4724
Exact Mass
326.2245802
Charge
0
InChI
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-18-22(23)24-21-17-13-15-19-14-11-12-16-20(19)21/h11-17H,2-10,18H2,1H3
InChIKey
CJSQRFDKBOSEJH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)Oc1cccc2c1cccc2
Isomeric Smiles
CCCCCCCCCCCC(=O)Oc1c2ccccc2ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.2716374
LogD (pH = 7.4)
7.2716374
Log P
7.2716374
Molar Refractivity
99.6765
Polarizability
40.774563
Polar Surface Area
26.3
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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