N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C14H10N3O2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C14H10N3O2F3 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C14H10F3N3O2/c15-14(16,17)22-12-3-1-10(2-4-12)9-19-20-13(21)11-5-7-18-8-6-11/h1-9H,(H,20,21) |
| InChIK | ZVYZYFZHBDVXPJ-UHFFFAOYSA-N |
| TotalMolweight | 309.246 |
| Molweight | 309.246 |
| MonoisotopicMass | 309.072511 |
| CLogP | 3.2997 |
| CLogS | -3.949 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.21 |
| Relative PSA | 0.25301 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -3.6807 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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