4-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide
Formula:C12H9N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]benzamide |
| MolecularFormula | C12H9N3O3S |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cscc1)=O)=O |
| InChI | InChI=1S/C12H9N3O3S/c16-12(14-13-7-9-5-6-19-8-9)10-1-3-11(4-2-10)15(17)18/h1-8H,(H,14,16) |
| InChIK | IYMRRBJBYKUJKK-UHFFFAOYSA-N |
| TotalMolweight | 275.287 |
| Molweight | 275.287 |
| MonoisotopicMass | 275.036462 |
| CLogP | 2.0644 |
| CLogS | -4.081 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 206.6 |
| Relative PSA | 0.42009 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | -0.2106 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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