N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C12H7N3OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C12H7N3OBr2S |
| Smiles | Brc(cc(/C=N\Nc1nc(cccc2)c2s1)o1)c1Br |
| InChI | InChI=1S/C12H7Br2N3OS/c13-8-5-7(18-11(8)14)6-15-17-12-16-9-3-1-2-4-10(9)19-12/h1-6H,(H,16,17) |
| InChIK | LEIIMROXTXUEJZ-UHFFFAOYSA-N |
| TotalMolweight | 401.082 |
| Molweight | 401.082 |
| MonoisotopicMass | 398.867654 |
| CLogP | 6.3798 |
| CLogS | -5.229 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.49 |
| Relative PSA | 0.30338 |
| PolarSurfaceArea | 78.66 |
| Druglikeness | -2.757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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