N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H12N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H12N3O2F |
| Smiles | O=C(c1cnccc1)N/N=C\c1ccc(-c(cccc2)c2F)o1 |
| InChI | InChI=1S/C17H12FN3O2/c18-15-6-2-1-5-14(15)16-8-7-13(23-16)11-20-21-17(22)12-4-3-9-19-10-12/h1-11H,(H,21,22) |
| InChIK | PXVZPGUZBOTNBJ-UHFFFAOYSA-N |
| TotalMolweight | 309.299 |
| Molweight | 309.299 |
| MonoisotopicMass | 309.091355 |
| CLogP | 3.2404 |
| CLogS | -4.7 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.55 |
| Relative PSA | 0.25291 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 5.1283 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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