3-[(Z)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-one
Formula:C12H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-one is a drug-like molecule.
| MolName | 3-[(Z)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-one |
| MolecularFormula | C12H9N3OS |
| Smiles | O=C(Nc1c2cccc1)N2/N=C\c1cccs1 |
| InChI | InChI=1S/C12H9N3OS/c16-12-14-10-5-1-2-6-11(10)15(12)13-8-9-4-3-7-17-9/h1-8H,(H,14,16) |
| InChIK | ACCFRMYVJLSKPC-UHFFFAOYSA-N |
| TotalMolweight | 243.289 |
| Molweight | 243.289 |
| MonoisotopicMass | 243.046632 |
| CLogP | 2.8894 |
| CLogS | -3.871 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 179.73 |
| Relative PSA | 0.33339 |
| PolarSurfaceArea | 72.94 |
| Druglikeness | 5.4329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-one | 2 - 3-[(Z)-thiophen-2-ylmethylideneamino]-1H-benzimidazol-2-one
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