3-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C12H8N4ClF3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C12H8N4ClF3 |
| Smiles | FC(c1cc(Cl)c(N/N=C\c2ncccc2)nc1)(F)F |
| InChI | InChI=1S/C12H8ClF3N4/c13-10-5-8(12(14,15)16)6-18-11(10)20-19-7-9-3-1-2-4-17-9/h1-7H,(H,18,20) |
| InChIK | SDLQFHSHFKLHJP-UHFFFAOYSA-N |
| TotalMolweight | 300.671 |
| Molweight | 300.671 |
| MonoisotopicMass | 300.038957 |
| CLogP | 4.6988 |
| CLogS | -3.622 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 211.64 |
| Relative PSA | 0.2122 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | -4.8055 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off