N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C20H14N4O4Br2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H14N4O4Br2 |
| Smiles | [O-][N+](c1ccc(COc(c(Br)cc(/C=N\NC(c2ccncc2)=O)c2)c2Br)cc1)=O |
| InChI | InChI=1S/C20H14Br2N4O4/c21-17-9-14(11-24-25-20(27)15-5-7-23-8-6-15)10-18(22)19(17)30-12-13-1-3-16(4-2-13)26(28)29/h1-11H,12H2,(H,25,27) |
| InChIK | AEEHVZGUTWZWQM-UHFFFAOYSA-N |
| TotalMolweight | 534.163 |
| Molweight | 534.163 |
| MonoisotopicMass | 531.938178 |
| CLogP | 4.0776 |
| CLogS | -6.395 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 330.2 |
| Relative PSA | 0.26469 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -2.9057 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
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