N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-benzoxazol-2-amine
Formula:C13H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-benzoxazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C13H10N4O |
| Smiles | C(c1cnccc1)=N\Nc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C13H10N4O/c1-2-6-12-11(5-1)16-13(18-12)17-15-9-10-4-3-7-14-8-10/h1-9H,(H,16,17) |
| InChIK | PIQDJLOOVWJWFX-UHFFFAOYSA-N |
| TotalMolweight | 238.249 |
| Molweight | 238.249 |
| MonoisotopicMass | 238.085461 |
| CLogP | 4.2213 |
| CLogS | -3.47 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.05 |
| Relative PSA | 0.30892 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 2.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-benzoxazol-2-amine
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