4-[(Z)-thiophen-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Formula:C15H14N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-thiophen-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is a drug-like molecule.
| MolName | 4-[(Z)-thiophen-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione |
| MolecularFormula | C15H14N2O2S |
| Smiles | O=C(C1C(CC2)C=CC2C1C1=O)N1/N=C\c1cccs1 |
| InChI | InChI=1S/C15H14N2O2S/c18-14-12-9-3-4-10(6-5-9)13(12)15(19)17(14)16-8-11-2-1-7-20-11/h1-4,7-10,12-13H,5-6H2 |
| InChIK | BFTJIJKYVJDYKV-UHFFFAOYSA-N |
| TotalMolweight | 286.354 |
| Molweight | 286.354 |
| MonoisotopicMass | 286.077598 |
| CLogP | 1.9471 |
| CLogS | -3.548 |
| H Acceptors | 4 |
| TotalSurfaceArea | 203.28 |
| Relative PSA | 0.30254 |
| PolarSurfaceArea | 77.98 |
| Druglikeness | 5.3431 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
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1 - 4-[(Z)-thiophen-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione | 2 - 4-[(Z)-thiophen-2-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
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