N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]furan-2-carboxamide
Formula:C19H13N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C19H13N3O3S |
| Smiles | O=C(c1ccco1)N/N=C\c(o1)ccc1Sc1cccc2cccnc12 |
| InChI | InChI=1S/C19H13N3O3S/c23-19(15-6-3-11-24-15)22-21-12-14-8-9-17(25-14)26-16-7-1-4-13-5-2-10-20-18(13)16/h1-12H,(H,22,23) |
| InChIK | NRQMYECQXXLEJO-UHFFFAOYSA-N |
| TotalMolweight | 363.396 |
| Molweight | 363.396 |
| MonoisotopicMass | 363.067762 |
| CLogP | 3.8135 |
| CLogS | -5.34 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.98 |
| Relative PSA | 0.33465 |
| PolarSurfaceArea | 105.93 |
| Druglikeness | 6.5214 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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