Molecule

ID:3173

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₆O₂
Molecular Mass
354.61014
Exact Mass
354.34978071
Charge
0
InChI
InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
InChIKey
XEZVDURJDFGERA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
6.95
LogD (pH = 5.5)
8.71
Log P
9.37
Rotatable Bonds
21
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
49.38
Molar Refractivity
109.29
LOG S
-10.15
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation