N-[(Z)-pyridin-3-ylmethylideneamino]-4-(trifluoromethyl)aniline
Formula:C13H10N3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C13H10N3F3 |
| Smiles | FC(c(cc1)ccc1N/N=C\c1cnccc1)(F)F |
| InChI | InChI=1S/C13H10F3N3/c14-13(15,16)11-3-5-12(6-4-11)19-18-9-10-2-1-7-17-8-10/h1-9,19H |
| InChIK | AJAJKJWBEKGHAD-UHFFFAOYSA-N |
| TotalMolweight | 265.237 |
| Molweight | 265.237 |
| MonoisotopicMass | 265.082681 |
| CLogP | 4.6883 |
| CLogS | -3.132 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.46 |
| Relative PSA | 0.17188 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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