(2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-pyridin-2-ylethanone
Formula:C13H8N4OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-pyridin-2-ylethanone is a drug-like molecule.
| MolName | (2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-pyridin-2-ylethanone |
| MolecularFormula | C13H8N4OClF3 |
| Smiles | O=C(/C=N\Nc(ncc(C(F)(F)F)c1)c1Cl)c1ncccc1 |
| InChI | InChI=1S/C13H8ClF3N4O/c14-9-5-8(13(15,16)17)6-19-12(9)21-20-7-11(22)10-3-1-2-4-18-10/h1-7H,(H,19,21) |
| InChIK | YMZYHDROAAZMAJ-UHFFFAOYSA-N |
| TotalMolweight | 328.681 |
| Molweight | 328.681 |
| MonoisotopicMass | 328.033872 |
| CLogP | 3.4977 |
| CLogS | -3.69 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 229.39 |
| Relative PSA | 0.25263 |
| PolarSurfaceArea | 67.24 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| 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 - (2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-pyridin-2-ylethanone | 2 - (2Z)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]-1-pyridin-2-ylethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off