Molecule

ID:84984

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₀N₂O₆S₂
Molecular Mass
520.5768
Exact Mass
520.07627837
Charge
0
InChI
InChI=1S/C26H20N2O6S2/c29-27(30)23-13-11-21(15-25(23)33-17-19-7-3-1-4-8-19)35-36-22-12-14-24(28(31)32)26(16-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKey
UEXYSDGTHTVURG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1OCc1ccccc1)SSc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)SSc1cc(c(cc1)[N+](=O)[O-])OCc1ccccc1)OCc1ccccc1)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
7.587317
LogD (pH = 7.4)
7.587317
Log P
7.587317
Molar Refractivity
139.2612
Polarizability
53.97846
Polar Surface Area
110.1
Rotatable Bonds
11
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