4-amino-3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridine-2-carboxamide
Formula:C17H11N4OCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C17H11N4OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c1cccc2ccccc12)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C17H11Cl3N4O/c18-12-14(21)13(19)16(20)23-15(12)17(25)24-22-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,21,23)(H,24,25) |
| InChIK | GYKNDNSYIUXUSG-UHFFFAOYSA-N |
| TotalMolweight | 393.66 |
| Molweight | 393.66 |
| MonoisotopicMass | 391.999842 |
| CLogP | 4.6872 |
| CLogS | -6.603 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 275.13 |
| Relative PSA | 0.22626 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 4.4006 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-naphthalen-1-ylmethylideneamino]pyridine-2-carboxamide
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