TL;DR: 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro- (CAS 114915-66-1) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-nitro-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Also Known As: 8-Nitro-4,4a-dihydro-5H-indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-Tetrahydro-8-nitro-3H-indeno(1,2-c)pyridazin-3-one, 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro-, 8-nitro-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one, 8-Nitro-4a,5-dihydro-4H-indeno[1,2-c]pyridazin-3-ol
| Molecular Formula | C11H9N3O3 |
| Molecular Weight | 231.06439 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.06439 Da |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
| SMILES | C1C2CC(=O)NN=C2C3=C1C=CC(=C3)[N+](=O)[O-] |
| InChIKey | MPAKCSZPRBZIBF-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro-. Following Lipinski's Rule of Five, 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro- is 114915-66-1.
The molecular formula of 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro- is C11H9N3O3.
The molecular weight of 3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-8-nitro- is 231.06439 g/mol.
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