N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
Formula:C13H8N3O2Br3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H8N3O2Br3 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(c2ccncc2)=O)c1Br |
| InChI | InChI=1S/C13H8Br3N3O2/c14-9-5-10(15)12(20)11(16)8(9)6-18-19-13(21)7-1-3-17-4-2-7/h1-6,20H,(H,19,21) |
| InChIK | FVCPCZJFJUIFEJ-UHFFFAOYSA-N |
| TotalMolweight | 477.938 |
| Molweight | 477.938 |
| MonoisotopicMass | 474.81666 |
| CLogP | 4.0306 |
| CLogS | -5.132 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 247.99 |
| Relative PSA | 0.24227 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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