N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
Formula:C12H7N2O2Br3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C12H7N2O2Br3S |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(c2cccs2)=O)c1Br |
| InChI | InChI=1S/C12H7Br3N2O2S/c13-7-4-8(14)11(18)10(15)6(7)5-16-17-12(19)9-2-1-3-20-9/h1-5,18H,(H,17,19) |
| InChIK | FCHSMYMFGQNDAG-UHFFFAOYSA-N |
| TotalMolweight | 482.978 |
| Molweight | 482.978 |
| MonoisotopicMass | 479.777831 |
| CLogP | 4.8981 |
| CLogS | -5.937 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 245.17 |
| Relative PSA | 0.28335 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 4.3783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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