N-[(Z)-anthracen-9-ylmethylideneamino]-2-thiophen-2-ylacetamide
Formula:C21H16N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-thiophen-2-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C21H16N2OS |
| Smiles | O=C(Cc1cccs1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C21H16N2OS/c24-21(13-17-8-5-11-25-17)23-22-14-20-18-9-3-1-6-15(18)12-16-7-2-4-10-19(16)20/h1-12,14H,13H2,(H,23,24) |
| InChIK | IQUVQNLZMSBAMO-UHFFFAOYSA-N |
| TotalMolweight | 344.437 |
| Molweight | 344.437 |
| MonoisotopicMass | 344.098333 |
| CLogP | 5.4551 |
| CLogS | -6.908 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.89 |
| Relative PSA | 0.212 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 6.1501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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