TL;DR: CID 113119 (CAS 169790-11-8) is a chemical compound with molecular formula C10H6N2O4S and molecular weight 250.00482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzo[g][1,2,3]benzoxadiazole-6-sulfonic acid
Also Known As: benzo[g][1,2,3]benzoxadiazole-6-sulfonic acid, Naphth[2,1-d]-1,2,3-oxadiazole-6-sulfonic acid, Naphtho[2,1-d]-1,2,3-oxadiazole-6-sulfonic acid
| Molecular Formula | C10H6N2O4S |
| Molecular Weight | 250.00482 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.00482 Da |
| Heavy Atoms | 17 |
| Complexity | 394.0 |
| SMILES | C1=CC2=C(C=CC3=C2ON=N3)C(=C1)S(=O)(=O)O |
| InChIKey | MHUWGDORCNUFEW-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 113119. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 113119. Following Lipinski's Rule of Five, CID 113119 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CID 113119 is 169790-11-8.
The molecular formula of CID 113119 is C10H6N2O4S.
The molecular weight of CID 113119 is 250.00482 g/mol.
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