(E)-N-(9,10-dioxoanthracen-1-yl)-3-thiophen-2-ylprop-2-enamide
Formula:C21H13NO3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-N-(9,10-dioxoanthracen-1-yl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(9,10-dioxoanthracen-1-yl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C21H13NO3S |
| Smiles | O=C(/C=C/c1cccs1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O |
| InChI | InChI=1S/C21H13NO3S/c23-18(11-10-13-5-4-12-26-13)22-17-9-3-8-16-19(17)21(25)15-7-2-1-6-14(15)20(16)24/h1-12H,(H,22,23) |
| InChIK | YKMFGJMLCOSMGH-UHFFFAOYSA-N |
| TotalMolweight | 359.404 |
| Molweight | 359.404 |
| MonoisotopicMass | 359.061614 |
| CLogP | 4.3767 |
| CLogS | -6.622 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.43 |
| Relative PSA | 0.26626 |
| PolarSurfaceArea | 91.48 |
| Druglikeness | 1.983 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Amides | 1 |
| StereoCon |
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