Molecule

ID:104706

General Information
Structure
MolImage
Molecular Formula
C₄₂H₈₂O₄S
Molecular Mass
683.16308
Exact Mass
682.5933821
Charge
0
InChI
InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
InChIKey
PWWSSIYVTQUJQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
15.833525
LogD (pH = 7.4)
15.833525
Log P
15.833525
Molar Refractivity
206.6715
Polarizability
82.71573
Polar Surface Area
52.6
Rotatable Bonds
42
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