2-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
Formula:C12H8N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H8N4O5S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c(cccc2)c2[N+]([O-])=O)=O)s1)=O |
| InChI | InChI=1S/C12H8N4O5S/c17-12(9-3-1-2-4-10(9)15(18)19)14-13-7-8-5-6-11(22-8)16(20)21/h1-7H,(H,14,17) |
| InChIK | SFZDRNFWYMZFDT-UHFFFAOYSA-N |
| TotalMolweight | 320.285 |
| Molweight | 320.285 |
| MonoisotopicMass | 320.021541 |
| CLogP | 1.4146 |
| CLogS | -4.801 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 230.27 |
| Relative PSA | 0.50901 |
| PolarSurfaceArea | 161.34 |
| Druglikeness | 0.45399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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