2,4-dinitro-N-[(Z)-[1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]aniline
Formula:C19H15N6O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-[1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-[1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]aniline |
| MolecularFormula | C19H15N6O6 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/C[n+]1ccccc1)=N/Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C19H15N6O6/c26-23(27)15-6-4-14(5-7-15)18(13-22-10-2-1-3-11-22)21-20-17-9-8-16(24(28)29)12-19(17)25(30)31/h1-12,20H,13H2/q+1 |
| InChIK | NOFRPCFRGPNYEB-UHFFFAOYSA-N |
| TotalMolweight | 423.364 |
| Molweight | 423.364 |
| MonoisotopicMass | 423.105309 |
| CLogP | -1.9721 |
| CLogS | -4.394 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 309.28 |
| Relative PSA | 0.37827 |
| PolarSurfaceArea | 165.73 |
| Druglikeness | -4.1334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 3 |
| StereoCon |
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1 - 2,4-dinitro-N-[(Z)-[1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]aniline | 2 - 2,4-dinitro-N-[(Z)-[1-(4-nitrophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]aniline
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