Molecule

ID:81887

General Information
Structure
MolImage
Molecular Formula
C₄₄H₈₈N₂S₂
Molecular Mass
709.31292
Exact Mass
708.63889283
Charge
0
InChI
InChI=1S/C44H88N2S2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-41-43(3,4)47-48-44(5,6)42-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3
InChIKey
LUZHNJMQSFYZFO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC/N=C/C(SSC(/C=N/CCCCCCCCCCCCCCCCCC)(C)C)(C)C
Isomeric Smiles
S(C(/C=N/CCCCCCCCCCCCCCCCCC)(C)C)SC(/C=N/CCCCCCCCCCCCCCCCCC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
13.200907
LogD (pH = 7.4)
16.57619
Log P
17.4055
Molar Refractivity
226.196
Polarizability
89.547104
Polar Surface Area
24.72
Rotatable Bonds
39
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation