N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]pyridin-2-amine
Formula:C13H11N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C13H11N3OF2 |
| Smiles | FC(Oc1ccc(/C=N\Nc2ncccc2)cc1)F |
| InChI | InChI=1S/C13H11F2N3O/c14-13(15)19-11-6-4-10(5-7-11)9-17-18-12-3-1-2-8-16-12/h1-9,13H,(H,16,18) |
| InChIK | OFMJDTHGTIWNKF-UHFFFAOYSA-N |
| TotalMolweight | 263.246 |
| Molweight | 263.246 |
| MonoisotopicMass | 263.087018 |
| CLogP | 4.3608 |
| CLogS | -3.501 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 203.2 |
| Relative PSA | 0.21624 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | -0.6935 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]pyridin-2-amine | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]pyridin-2-amine
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