N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C19H16N4O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C19H16N4O4 |
| Smiles | [O-][N+](c(ccc(/C=N\NC(CNc1cc2ccccc2cc1)=O)c1)c1O)=O |
| InChI | InChI=1S/C19H16N4O4/c24-18-9-13(5-8-17(18)23(26)27)11-21-22-19(25)12-20-16-7-6-14-3-1-2-4-15(14)10-16/h1-11,20,24H,12H2,(H,22,25) |
| InChIK | ATVXXVKJCTVETG-UHFFFAOYSA-N |
| TotalMolweight | 364.36 |
| Molweight | 364.36 |
| MonoisotopicMass | 364.117156 |
| CLogP | 2.4206 |
| CLogS | -5.313 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 276.83 |
| Relative PSA | 0.32869 |
| PolarSurfaceArea | 119.54 |
| Druglikeness | -0.14462 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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