N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C15H10N4O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C15H10N4O2ClF3 |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C15H10ClF3N4O2/c16-11-4-3-10(15(17,18)19)6-12(11)22-13(24)14(25)23-21-8-9-2-1-5-20-7-9/h1-8H,(H,22,24)(H,23,25) |
| InChIK | WUZJZSVWRMUSCU-UHFFFAOYSA-N |
| TotalMolweight | 370.717 |
| Molweight | 370.717 |
| MonoisotopicMass | 370.044437 |
| CLogP | 2.5973 |
| CLogS | -4.244 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 259.84 |
| Relative PSA | 0.27509 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | -3.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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