(2E)-N-(2,4,6-tribromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C15H7N4Br3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(2,4,6-tribromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-(2,4,6-tribromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C15H7N4Br3S |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N\Nc(c(Br)cc(Br)c1)c1Br |
| InChI | InChI=1S/C15H7Br3N4S/c16-8-5-9(17)14(10(18)6-8)22-21-12(7-19)15-20-11-3-1-2-4-13(11)23-15/h1-6,22H |
| InChIK | BEBBLXFCRMFCKC-UHFFFAOYSA-N |
| TotalMolweight | 515.027 |
| Molweight | 515.027 |
| MonoisotopicMass | 511.794149 |
| CLogP | 6.2072 |
| CLogS | -6.423 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.35 |
| Relative PSA | 0.24735 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -3.5825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-(2,4,6-tribromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide | 2 - (2E)-N-(2,4,6-tribromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
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