1-(4-chloro-2-nitrophenyl)-N-phenylmethanimine oxide
Formula:C13H9N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chloro-2-nitrophenyl)-N-phenylmethanimine oxide is a drug-like molecule.
| MolName | 1-(4-chloro-2-nitrophenyl)-N-phenylmethanimine oxide |
| MolecularFormula | C13H9N2O3Cl |
| Smiles | [O-]/[N+](/c1ccccc1)=C\c(ccc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C13H9ClN2O3/c14-11-7-6-10(13(8-11)16(18)19)9-15(17)12-4-2-1-3-5-12/h1-9H |
| InChIK | IXMAPCVZFXBSHU-UHFFFAOYSA-N |
| TotalMolweight | 276.678 |
| Molweight | 276.678 |
| MonoisotopicMass | 276.03017 |
| CLogP | 2.7002 |
| CLogS | -4.824 |
| H Acceptors | 5 |
| TotalSurfaceArea | 202.74 |
| Relative PSA | 0.23577 |
| PolarSurfaceArea | 74.57 |
| Druglikeness | -7.2798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; nitrone |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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