(2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-phenylethanone
Formula:C14H9N3OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-phenylethanone is a drug-like molecule.
| MolName | (2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-phenylethanone |
| MolecularFormula | C14H9N3OClF3 |
| Smiles | O=C(/C=N\Nc(ncc(C(F)(F)F)c1)c1Cl)c1ccccc1 |
| InChI | InChI=1S/C14H9ClF3N3O/c15-11-6-10(14(16,17)18)7-19-13(11)21-20-8-12(22)9-4-2-1-3-5-9/h1-8H,(H,19,21) |
| InChIK | QDPILFYZARZZMM-UHFFFAOYSA-N |
| TotalMolweight | 327.692 |
| Molweight | 327.692 |
| MonoisotopicMass | 327.038623 |
| CLogP | 4.4446 |
| CLogS | -4.461 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.63 |
| Relative PSA | 0.2037 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -4.6425 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| 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 | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-phenylethanone | 2 - (2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-phenylethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off