(Z)-1-(3-nitrophenyl)-N-(3-nitropyridin-2-yl)oxymethanimine
Formula:C12H8N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-nitrophenyl)-N-(3-nitropyridin-2-yl)oxymethanimine is a drug-like molecule.
| MolName | (Z)-1-(3-nitrophenyl)-N-(3-nitropyridin-2-yl)oxymethanimine |
| MolecularFormula | C12H8N4O5 |
| Smiles | [O-][N+](c1cccc(/C=N\Oc(nccc2)c2[N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C12H8N4O5/c17-15(18)10-4-1-3-9(7-10)8-14-21-12-11(16(19)20)5-2-6-13-12/h1-8H |
| InChIK | USYKHHLZRXDIQE-UHFFFAOYSA-N |
| TotalMolweight | 288.219 |
| Molweight | 288.219 |
| MonoisotopicMass | 288.049471 |
| CLogP | 1.204 |
| CLogS | -5.035 |
| H Acceptors | 9 |
| TotalSurfaceArea | 213.88 |
| Relative PSA | 0.43632 |
| PolarSurfaceArea | 126.12 |
| Druglikeness | -5.4066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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