N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C15H12N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C15H12N4O7 |
| Smiles | [O-][N+](c(ccc(/C=N\NC(COc(cccc1)c1[N+]([O-])=O)=O)c1)c1O)=O |
| InChI | InChI=1S/C15H12N4O7/c20-13-7-10(5-6-11(13)18(22)23)8-16-17-15(21)9-26-14-4-2-1-3-12(14)19(24)25/h1-8,20H,9H2,(H,17,21) |
| InChIK | KPMFILRRGNKQPS-UHFFFAOYSA-N |
| TotalMolweight | 360.281 |
| Molweight | 360.281 |
| MonoisotopicMass | 360.070601 |
| CLogP | 0.5876 |
| CLogS | -4.125 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 264.44 |
| Relative PSA | 0.4536 |
| PolarSurfaceArea | 162.56 |
| Druglikeness | -0.93382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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