N-[(Z)-benzylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
Formula:C14H10N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2,1,3-benzoxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,1,3-benzoxadiazole-5-carboxamide |
| MolecularFormula | C14H10N4O2 |
| Smiles | O=C(c1cc2nonc2cc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C14H10N4O2/c19-14(16-15-9-10-4-2-1-3-5-10)11-6-7-12-13(8-11)18-20-17-12/h1-9H,(H,16,19) |
| InChIK | NXECTRKVMDVBHW-UHFFFAOYSA-N |
| TotalMolweight | 266.259 |
| Molweight | 266.259 |
| MonoisotopicMass | 266.080376 |
| CLogP | 3.1523 |
| CLogS | -3.36 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 208.8 |
| Relative PSA | 0.34511 |
| PolarSurfaceArea | 80.38 |
| Druglikeness | 6.3134 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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