N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Formula:C15H12N6O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C15H12N6O3 |
| Smiles | [O-][N+](c1nn(CC(N/N=C\c2cccc3ccccc23)=O)cn1)=O |
| InChI | InChI=1S/C15H12N6O3/c22-14(9-20-10-16-15(19-20)21(23)24)18-17-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-8,10H,9H2,(H,18,22) |
| InChIK | ALGQGLDQVMNJPR-UHFFFAOYSA-N |
| TotalMolweight | 324.299 |
| Molweight | 324.299 |
| MonoisotopicMass | 324.097089 |
| CLogP | 1.2771 |
| CLogS | -4.669 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 245.74 |
| Relative PSA | 0.38756 |
| PolarSurfaceArea | 117.99 |
| Druglikeness | 1.3516 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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