2-(4-bromophenyl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
Formula:C13H10N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenyl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C13H10N3O3BrS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cc(cc2)ccc2Br)=O)s1)=O |
| InChI | InChI=1S/C13H10BrN3O3S/c14-10-3-1-9(2-4-10)7-12(18)16-15-8-11-5-6-13(21-11)17(19)20/h1-6,8H,7H2,(H,16,18) |
| InChIK | QXKWBKDTBHDXDC-UHFFFAOYSA-N |
| TotalMolweight | 368.21 |
| Molweight | 368.21 |
| MonoisotopicMass | 366.962623 |
| CLogP | 3.0595 |
| CLogS | -5.14 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 238.99 |
| Relative PSA | 0.36315 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | -1.3267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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