N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide
Formula:C12H8N4O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide |
| MolecularFormula | C12H8N4O4S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(scc3)c3[nH]2)=O)o1)=O |
| InChI | InChI=1S/C12H8N4O4S/c17-12(9-5-10-8(14-9)3-4-21-10)15-13-6-7-1-2-11(20-7)16(18)19/h1-6,14H,(H,15,17) |
| InChIK | LVVBWWFQLDDIJU-UHFFFAOYSA-N |
| TotalMolweight | 304.286 |
| Molweight | 304.286 |
| MonoisotopicMass | 304.026626 |
| CLogP | 1.5581 |
| CLogS | -4.57 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 220.46 |
| Relative PSA | 0.52114 |
| PolarSurfaceArea | 144.45 |
| Druglikeness | 4.5391 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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