(E)-N-(1,3-benzothiazol-2-yl)benzenecarbohydrazonoyl bromide
Formula:C14H10N3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,3-benzothiazol-2-yl)benzenecarbohydrazonoyl bromide is not a drug-like molecule.
| MolName | (E)-N-(1,3-benzothiazol-2-yl)benzenecarbohydrazonoyl bromide |
| MolecularFormula | C14H10N3BrS |
| Smiles | Br/C(/c1ccccc1)=N/Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C14H10BrN3S/c15-13(10-6-2-1-3-7-10)17-18-14-16-11-8-4-5-9-12(11)19-14/h1-9H,(H,16,18) |
| InChIK | DYAPDBCIZACZKY-UHFFFAOYSA-N |
| TotalMolweight | 332.224 |
| Molweight | 332.224 |
| MonoisotopicMass | 330.977878 |
| CLogP | 5.7642 |
| CLogS | -5.28 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 215.38 |
| Relative PSA | 0.25211 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -2.4412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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