N-[(Z)-(4-bromophenyl)methylideneamino]-2-thiophen-2-ylacetamide
Formula:C13H11N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C13H11N2OBrS |
| Smiles | O=C(Cc1cccs1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H11BrN2OS/c14-11-5-3-10(4-6-11)9-15-16-13(17)8-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17) |
| InChIK | UTMAJYWUFKFXHN-UHFFFAOYSA-N |
| TotalMolweight | 323.213 |
| Molweight | 323.213 |
| MonoisotopicMass | 321.977544 |
| CLogP | 3.7915 |
| CLogS | -4.53 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 215.32 |
| Relative PSA | 0.2618 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.3601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-thiophen-2-ylacetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-thiophen-2-ylacetamide
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