N-naphthalen-2-yl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C19H15N3O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-2-yl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-naphthalen-2-yl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C19H15N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(Nc2cc3ccccc3cc2)=O)ccc1)=O |
| InChI | InChI=1S/C19H15N3O4/c23-19(21-17-9-8-15-5-1-2-6-16(15)11-17)13-26-20-12-14-4-3-7-18(10-14)22(24)25/h1-12H,13H2,(H,21,23) |
| InChIK | KQPRMKGVPLRLSE-UHFFFAOYSA-N |
| TotalMolweight | 349.345 |
| Molweight | 349.345 |
| MonoisotopicMass | 349.106257 |
| CLogP | 3.4828 |
| CLogS | -5.659 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 269.02 |
| Relative PSA | 0.28411 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.9908 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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