N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C18H13N3O2F2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C18H13N3O2F2S |
| Smiles | O=C(c1ccncc1)N/N=C\c1ccc(-c(cc2)ccc2SC(F)F)o1 |
| InChI | InChI=1S/C18H13F2N3O2S/c19-18(20)26-15-4-1-12(2-5-15)16-6-3-14(25-16)11-22-23-17(24)13-7-9-21-10-8-13/h1-11,18H,(H,23,24) |
| InChIK | FTTLCUOPPHLDLZ-UHFFFAOYSA-N |
| TotalMolweight | 373.382 |
| Molweight | 373.382 |
| MonoisotopicMass | 373.069653 |
| CLogP | 5.0345 |
| CLogS | -5.855 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.89 |
| Relative PSA | 0.28277 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | 3.6453 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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