N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C19H15N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C19H15N3O3 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C19H15N3O3/c23-19(12-14-8-10-17(11-9-14)22(24)25)21-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,13H,12H2,(H,21,23) |
| InChIK | SAEGVUWSFRHNQC-UHFFFAOYSA-N |
| TotalMolweight | 333.346 |
| Molweight | 333.346 |
| MonoisotopicMass | 333.111342 |
| CLogP | 3.4725 |
| CLogS | -5.752 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 259.02 |
| Relative PSA | 0.25647 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.79406 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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