(2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone
Formula:C14H8N3OCl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone is not a drug-like molecule.
| MolName | (2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone |
| MolecularFormula | C14H8N3OCl2F3 |
| Smiles | O=C(/C=N\Nc(ncc(C(F)(F)F)c1)c1Cl)c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H8Cl2F3N3O/c15-10-3-1-8(2-4-10)12(23)7-21-22-13-11(16)5-9(6-20-13)14(17,18)19/h1-7H,(H,20,22) |
| InChIK | VIRNWOJWTJZRPR-UHFFFAOYSA-N |
| TotalMolweight | 362.138 |
| Molweight | 362.138 |
| MonoisotopicMass | 360.99965 |
| CLogP | 5.0506 |
| CLogS | -5.197 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.05 |
| Relative PSA | 0.19094 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -4.6425 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 |
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