N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C17H10N3O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C17H10N3O2Cl3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1ccc(-c(c(Cl)c2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H10Cl3N3O2/c18-13-8-15(20)14(19)7-12(13)16-2-1-11(25-16)9-22-23-17(24)10-3-5-21-6-4-10/h1-9H,(H,23,24) |
| InChIK | POXYBMSNANTCJK-UHFFFAOYSA-N |
| TotalMolweight | 394.644 |
| Molweight | 394.644 |
| MonoisotopicMass | 392.983858 |
| CLogP | 4.9576 |
| CLogS | -6.594 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.46 |
| Relative PSA | 0.21705 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 6.4937 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
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