N-[(Z)-thiophen-2-ylmethylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
Formula:C12H8N4O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-2,1,3-benzoxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2,1,3-benzoxadiazole-5-carboxamide |
| MolecularFormula | C12H8N4O2S |
| Smiles | O=C(c1cc2nonc2cc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C12H8N4O2S/c17-12(14-13-7-9-2-1-5-19-9)8-3-4-10-11(6-8)16-18-15-10/h1-7H,(H,14,17) |
| InChIK | QVOJSLQSLQJMKM-UHFFFAOYSA-N |
| TotalMolweight | 272.288 |
| Molweight | 272.288 |
| MonoisotopicMass | 272.036796 |
| CLogP | 3.0189 |
| CLogS | -3.37 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 204.74 |
| Relative PSA | 0.4514 |
| PolarSurfaceArea | 108.62 |
| Druglikeness | 7.5038 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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