2,6-dichloro-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
Formula:C16H9N3O3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,6-dichloro-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C16H9N3O3Cl2 |
| Smiles | O=C(c1cc(Cl)nc(Cl)c1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C16H9Cl2N3O3/c17-13-5-9(6-14(18)20-13)16(23)21-19-7-10-8-24-12-4-2-1-3-11(12)15(10)22/h1-8H,(H,21,23) |
| InChIK | XJSXDVXCEMAWDE-UHFFFAOYSA-N |
| TotalMolweight | 362.171 |
| Molweight | 362.171 |
| MonoisotopicMass | 361.002096 |
| CLogP | 2.7249 |
| CLogS | -4.474 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.55 |
| Relative PSA | 0.274 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 4.9589 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,6-dichloro-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide | 2 - 2,6-dichloro-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
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