5-bromo-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H10N4O4BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H10N4O4BrCl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c3cc(Br)cnc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C17H10BrClN4O4/c18-11-5-10(7-20-8-11)17(24)22-21-9-13-2-4-16(27-13)14-6-12(23(25)26)1-3-15(14)19/h1-9H,(H,22,24) |
| InChIK | QRQCHAUTETXNEY-UHFFFAOYSA-N |
| TotalMolweight | 449.647 |
| Molweight | 449.647 |
| MonoisotopicMass | 447.957394 |
| CLogP | 3.5492 |
| CLogS | -6.416 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.92 |
| Relative PSA | 0.31241 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | -0.37626 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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