2,4-dinitro-N-[(Z)-triphenylsilylmethylideneamino]aniline
Formula:C25H20N4O4Si
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-triphenylsilylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-triphenylsilylmethylideneamino]aniline |
| MolecularFormula | C25H20N4O4Si |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C25H20N4O4Si/c30-28(31)20-16-17-24(25(18-20)29(32)33)27-26-19-34(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,27H |
| InChIK | YKJCUKJEFPBOTG-UHFFFAOYSA-N |
| TotalMolweight | 468.544 |
| Molweight | 468.544 |
| MonoisotopicMass | 468.125383 |
| CLogP | 5.3704 |
| CLogS | -5.424 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 349.6 |
| Relative PSA | 0.23973 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | -21.569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| AcidicOxygens | 2 |
| StereoCon |
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