N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C20H14N3O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H14N3O2BrCl2 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc(cc1)Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C20H14BrCl2N3O2/c21-16-2-4-19(28-12-14-1-3-17(22)10-18(14)23)15(9-16)11-25-26-20(27)13-5-7-24-8-6-13/h1-11H,12H2,(H,26,27) |
| InChIK | MWHMSHUIVDIWBO-UHFFFAOYSA-N |
| TotalMolweight | 479.16 |
| Molweight | 479.16 |
| MonoisotopicMass | 476.964642 |
| CLogP | 5.486 |
| CLogS | -6.573 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.74 |
| Relative PSA | 0.17877 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2614 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
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