N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
Formula:C11H9N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C11H9N3O3S2 |
| Smiles | [O-][N+](c1ccc(/C=N/NC(Cc2cccs2)=O)s1)=O |
| InChI | InChI=1S/C11H9N3O3S2/c15-10(6-8-2-1-5-18-8)13-12-7-9-3-4-11(19-9)14(16)17/h1-5,7H,6H2,(H,13,15) |
| InChIK | XLLTZUJBTCNJIF-UHFFFAOYSA-N |
| TotalMolweight | 295.342 |
| Molweight | 295.342 |
| MonoisotopicMass | 295.008532 |
| CLogP | 2.2009 |
| CLogS | -4.316 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 216.3 |
| Relative PSA | 0.49538 |
| PolarSurfaceArea | 143.76 |
| Druglikeness | 1.0791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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