Molecule

ID:110342

General Information
Structure
Molecular Formula
C₂₄H₄₀O₂
Molecular Mass
360.5732
Exact Mass
360.30283052
Charge
0
InChI
InChI=1S/C24H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(25)22(2)24-20-18-21-26-24/h18,20-21H,2-17,19H2,1H3
InChIKey
BCHZNKBTIXJHKH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)C(=C)c1ccco1
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)C(=C)c1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.959973
LogD (pH = 7.4)
8.959973
Log P
8.959973
Molar Refractivity
111.3274
Polarizability
43.9658
Polar Surface Area
30.21
Rotatable Bonds
18
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