2-pyridin-1-ium-1-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C15H13N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-pyridin-1-ium-1-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-pyridin-1-ium-1-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C15H13N3OF3 |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C15H12F3N3O/c16-15(17,18)13-7-3-2-6-12(13)10-19-20-14(22)11-21-8-4-1-5-9-21/h1-10H,11H2/p+1 |
| InChIK | BFIJIJBUYXZEJU-UHFFFAOYSA-O |
| TotalMolweight | 308.282 |
| Molweight | 308.282 |
| MonoisotopicMass | 308.101071 |
| CLogP | -1.38 |
| CLogS | -2.834 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.51 |
| Relative PSA | 0.17041 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | -3.123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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