N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C20H13N3O2Br2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H13N3O2Br2Cl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c1cc(Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C20H13Br2Cl2N3O2/c21-15-6-14(10-26-27-20(28)12-2-1-5-25-9-12)19(17(22)7-15)29-11-13-3-4-16(23)8-18(13)24/h1-10H,11H2,(H,27,28) |
| InChIK | OPBCTTGFSOFUFN-UHFFFAOYSA-N |
| TotalMolweight | 558.056 |
| Molweight | 558.056 |
| MonoisotopicMass | 554.875153 |
| CLogP | 6.2112 |
| CLogS | -7.407 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 337.37 |
| Relative PSA | 0.16889 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
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