Molecule

ID:112335

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₈O₃
Molecular Mass
340.45592
Exact Mass
340.20384476
Charge
0
InChI
InChI=1S/C22H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h2-5,7-8,10-11,13-14,16-17,20H,6,9,12,15,18-19H2,1H3
InChIKey
WEDPWRGEBAUTTN-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
Isomeric Smiles
C/C=C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6648126
LogD (pH = 7.4)
5.6648126
Log P
5.6648126
Molar Refractivity
109.8227
Polarizability
39.93061
Polar Surface Area
43.37
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation