5-bromo-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N3O2BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N3O2BrCl |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1ccc(-c2cc(Cl)ccc2)o1 |
| InChI | InChI=1S/C17H11BrClN3O2/c18-13-6-12(8-20-9-13)17(23)22-21-10-15-4-5-16(24-15)11-2-1-3-14(19)7-11/h1-10H,(H,22,23) |
| InChIK | OWZFVAHFVCEROD-UHFFFAOYSA-N |
| TotalMolweight | 404.65 |
| Molweight | 404.65 |
| MonoisotopicMass | 402.972315 |
| CLogP | 4.4708 |
| CLogS | -5.956 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.25 |
| Relative PSA | 0.22689 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.7037 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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