4-[(Z)-benzylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
Formula:C15H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-benzylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one is a drug-like molecule.
| MolName | 4-[(Z)-benzylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one |
| MolecularFormula | C15H12N4O |
| Smiles | O=C(NN=C1c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12N4O/c20-15-18-17-14(13-9-5-2-6-10-13)19(15)16-11-12-7-3-1-4-8-12/h1-11H,(H,18,20) |
| InChIK | PUZXUSOTUOCXFG-UHFFFAOYSA-N |
| TotalMolweight | 264.287 |
| Molweight | 264.287 |
| MonoisotopicMass | 264.101111 |
| CLogP | 2.9345 |
| CLogS | -4.367 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.76 |
| Relative PSA | 0.247 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 4.5705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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