N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiophene-2-carboxamide
Formula:C17H10N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiophene-2-carboxamide |
| MolecularFormula | C17H10N2O2S |
| Smiles | O=C(c1cccs1)N/N=C(/c1cccc2cccc3c12)\C3=O |
| InChI | InChI=1S/C17H10N2O2S/c20-16-12-7-2-5-10-4-1-6-11(14(10)12)15(16)18-19-17(21)13-8-3-9-22-13/h1-9H,(H,19,21) |
| InChIK | OCAXBXAWRVDNOJ-UHFFFAOYSA-N |
| TotalMolweight | 306.344 |
| Molweight | 306.344 |
| MonoisotopicMass | 306.046298 |
| CLogP | 3.7005 |
| CLogS | -5.927 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.99 |
| Relative PSA | 0.31551 |
| PolarSurfaceArea | 86.77 |
| Druglikeness | 6.0362 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
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