Molecule

ID:110237

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₄O₃
Molecular Mass
380.60436
Exact Mass
380.32904527
Charge
0
InChI
InChI=1S/C24H44O3/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-16-21-24(26)27-23-19-14-11-15-20-23/h9,13,22-23,25H,2-8,10-12,14-21H2,1H3
InChIKey
UCQUKKSWBLJRLE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C/C=C/CCCCCCCC(=O)OC1CCCCC1)O
Isomeric Smiles
CCCCCCC(O)C/C=C/CCCCCCCC(=O)OC1CCCCC1
Calculated Properties
JChem
Acid pKa
18.401257
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.3422446
LogD (pH = 7.4)
7.3422446
Log P
7.3422446
Molar Refractivity
114.854996
Polarizability
45.357376
Polar Surface Area
46.53
Rotatable Bonds
17
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