3-[(Z)-pyridin-3-ylmethylideneamino]-1H-benzimidazol-2-one
Formula:C13H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-pyridin-3-ylmethylideneamino]-1H-benzimidazol-2-one is a drug-like molecule.
| MolName | 3-[(Z)-pyridin-3-ylmethylideneamino]-1H-benzimidazol-2-one |
| MolecularFormula | C13H10N4O |
| Smiles | O=C(Nc1c2cccc1)N2/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H10N4O/c18-13-16-11-5-1-2-6-12(11)17(13)15-9-10-4-3-7-14-8-10/h1-9H,(H,16,18) |
| InChIK | AWCHEMVSKIPOFQ-UHFFFAOYSA-N |
| TotalMolweight | 238.249 |
| Molweight | 238.249 |
| MonoisotopicMass | 238.085461 |
| CLogP | 2.0219 |
| CLogS | -3.066 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 182.55 |
| Relative PSA | 0.2768 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 3.7438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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