N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C14H10N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C14H10N3OF5 |
| Smiles | FC(Oc1c(/C=N\Nc2ncc(C(F)(F)F)cc2)cccc1)F |
| InChI | InChI=1S/C14H10F5N3O/c15-13(16)23-11-4-2-1-3-9(11)7-21-22-12-6-5-10(8-20-12)14(17,18)19/h1-8,13H,(H,20,22) |
| InChIK | WEFMPWGBGOVKCV-UHFFFAOYSA-N |
| TotalMolweight | 331.243 |
| Molweight | 331.243 |
| MonoisotopicMass | 331.074402 |
| CLogP | 5.2091 |
| CLogS | -4.279 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.66 |
| Relative PSA | 0.18886 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | -4.8435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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