2-thiophen-2-yl-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
Formula:C19H13N3OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-thiophen-2-yl-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-thiophen-2-yl-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C19H13N3OS2 |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c1cscc1 |
| InChI | InChI=1S/C19H13N3OS2/c23-19(22-20-11-13-7-9-24-12-13)15-10-17(18-6-3-8-25-18)21-16-5-2-1-4-14(15)16/h1-12H,(H,22,23) |
| InChIK | CEYVFPCBJTWVIV-UHFFFAOYSA-N |
| TotalMolweight | 363.464 |
| Molweight | 363.464 |
| MonoisotopicMass | 363.050002 |
| CLogP | 5.0757 |
| CLogS | -6.026 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.99 |
| Relative PSA | 0.32244 |
| PolarSurfaceArea | 110.83 |
| Druglikeness | 6.1248 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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