N-(6-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
Formula:C14H8N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide is a drug-like molecule.
| MolName | N-(6-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide |
| MolecularFormula | C14H8N2OBrClS |
| Smiles | O=C(c(cccc1)c1Cl)Nc1nc(ccc(Br)c2)c2s1 |
| InChI | InChI=1S/C14H8BrClN2OS/c15-8-5-6-11-12(7-8)20-14(17-11)18-13(19)9-3-1-2-4-10(9)16/h1-7H,(H,17,18,19) |
| InChIK | RYKKUJHGKPFOAP-UHFFFAOYSA-N |
| TotalMolweight | 367.654 |
| Molweight | 367.654 |
| MonoisotopicMass | 365.922921 |
| CLogP | 4.9407 |
| CLogS | -5.665 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225.58 |
| Relative PSA | 0.2475 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -0.39998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(6-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide | 2 - N-(6-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
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