(11E)-11-[(2-nitrophenyl)methylidene]indeno[1,2-b]quinoxaline
Formula:C22H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(11E)-11-[(2-nitrophenyl)methylidene]indeno[1,2-b]quinoxaline is a drug-like molecule.
| MolName | (11E)-11-[(2-nitrophenyl)methylidene]indeno[1,2-b]quinoxaline |
| MolecularFormula | C22H13N3O2 |
| Smiles | [O-][N+](c1c(/C=C2/c3nc4ccccc4nc3-c3c2cccc3)cccc1)=O |
| InChI | InChI=1S/C22H13N3O2/c26-25(27)20-12-6-1-7-14(20)13-17-15-8-2-3-9-16(15)21-22(17)24-19-11-5-4-10-18(19)23-21/h1-13H |
| InChIK | QBPHQBPEBBAQDN-UHFFFAOYSA-N |
| TotalMolweight | 351.364 |
| Molweight | 351.364 |
| MonoisotopicMass | 351.100777 |
| CLogP | 3.9619 |
| CLogS | -5.939 |
| H Acceptors | 5 |
| TotalSurfaceArea | 259.78 |
| Relative PSA | 0.20156 |
| PolarSurfaceArea | 71.6 |
| Druglikeness | -5.8244 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (11E)-11-[(2-nitrophenyl)methylidene]indeno[1,2-b]quinoxaline | 2 - (11E)-11-[(2-nitrophenyl)methylidene]indeno[1,2-b]quinoxaline
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