TL;DR: 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol (CAS 16484-15-4) is a chemical compound with molecular formula C14H16N4O7 and molecular weight 352.1019 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol
Also Known As: (6E)-9-azabicyclo[6.1.0]non-6-ene,2,4,6-trinitrophenol
| Molecular Formula | C14H16N4O7 |
| Molecular Weight | 352.1019 g/mol |
| XLogP | 2.5738 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.1019 Da |
| Heavy Atoms | 25 |
| Complexity | 420.0 |
| SMILES | C1CCC2C(N2)C=CC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZSOLMGXFEGJCJB-UHFFFAOYSA-N |
The XLogP value of 2.5738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol. The TPSA of 180.0 Ų indicates high polarity, suggesting 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol is 16484-15-4.
The molecular formula of 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol is C14H16N4O7.
The molecular weight of 9-Azabicyclo[6.1.0]non-2-ene;2,4,6-trinitrophenol is 352.1019 g/mol.
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