5-bromo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N4O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N4O4Br |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\NC(c3cc(Br)cnc3)=O)o2)c1)=O |
| InChI | InChI=1S/C17H11BrN4O4/c18-13-6-12(8-19-9-13)17(23)21-20-10-15-4-5-16(26-15)11-2-1-3-14(7-11)22(24)25/h1-10H,(H,21,23) |
| InChIK | OGDWXFAPUWZRGP-UHFFFAOYSA-N |
| TotalMolweight | 415.202 |
| Molweight | 415.202 |
| MonoisotopicMass | 413.996367 |
| CLogP | 2.9432 |
| CLogS | -5.68 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 277.5 |
| Relative PSA | 0.32977 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | -0.40999 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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