Molecule

ID:104471

General Information
Structure
MolImage
Molecular Formula
C₃₀H₆₀O₂
Molecular Mass
452.7962
Exact Mass
452.45933116
Charge
0
InChI
InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey
UULYVBBLIYLRCU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
12.17
LogD (pH = 5.5)
12.17
Log P
12.17
Rotatable Bonds
28
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
63.95
Molar Refractivity
141.74
LOG S
-12.87
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