2-(benzotriazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C14H12N6O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(benzotriazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(benzotriazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C14H12N6O |
| Smiles | O=C(Cn1nnc2c1cccc2)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C14H12N6O/c21-14(18-16-9-11-5-7-15-8-6-11)10-20-13-4-2-1-3-12(13)17-19-20/h1-9H,10H2,(H,18,21) |
| InChIK | INKOICIJDIADQL-UHFFFAOYSA-N |
| TotalMolweight | 280.29 |
| Molweight | 280.29 |
| MonoisotopicMass | 280.107259 |
| CLogP | 0.8426 |
| CLogS | -2.545 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 220.83 |
| Relative PSA | 0.34321 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.2443 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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