N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
Formula:C13H10N2O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C13H10N2O2Br2S |
| Smiles | Oc(cc(/C=N\NC(Cc1cccs1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C13H10Br2N2O2S/c14-10-6-11(15)12(18)4-8(10)7-16-17-13(19)5-9-2-1-3-20-9/h1-4,6-7,18H,5H2,(H,17,19) |
| InChIK | DYZMKDGPSLIZPL-UHFFFAOYSA-N |
| TotalMolweight | 418.108 |
| Molweight | 418.108 |
| MonoisotopicMass | 415.88297 |
| CLogP | 4.171 |
| CLogS | -5.068 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 240.3 |
| Relative PSA | 0.2891 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 4.3532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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