N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C14H10N3OF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C14H10N3OF3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C14H10F3N3O/c15-14(16,17)12-4-2-1-3-11(12)9-19-20-13(21)10-5-7-18-8-6-10/h1-9H,(H,20,21) |
| InChIK | UFOBPJHITJUNTR-UHFFFAOYSA-N |
| TotalMolweight | 293.247 |
| Molweight | 293.247 |
| MonoisotopicMass | 293.077596 |
| CLogP | 3.049 |
| CLogS | -3.704 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.21 |
| Relative PSA | 0.2183 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.7213 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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