N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-6-carboxamide
Formula:C15H11N3OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-6-carboxamide |
| MolecularFormula | C15H11N3OS |
| Smiles | O=C(c1cc2cccnc2cc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H11N3OS/c19-15(18-17-10-13-4-2-8-20-13)12-5-6-14-11(9-12)3-1-7-16-14/h1-10H,(H,18,19) |
| InChIK | ZQNNFTJMHQQJCZ-UHFFFAOYSA-N |
| TotalMolweight | 281.338 |
| Molweight | 281.338 |
| MonoisotopicMass | 281.062282 |
| CLogP | 3.3842 |
| CLogS | -4.437 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.29 |
| Relative PSA | 0.31134 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 5.979 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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