N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C17H12N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C17H12N3O2Br |
| Smiles | O=C(c1ccncc1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C17H12BrN3O2/c18-14-3-1-12(2-4-14)16-6-5-15(23-16)11-20-21-17(22)13-7-9-19-10-8-13/h1-11H,(H,21,22) |
| InChIK | RQIKMGSLJCNQFU-UHFFFAOYSA-N |
| TotalMolweight | 370.205 |
| Molweight | 370.205 |
| MonoisotopicMass | 369.011288 |
| CLogP | 3.8648 |
| CLogS | -5.22 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.83 |
| Relative PSA | 0.24067 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.6783 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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