(Z)-1-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
Formula:C16H11N2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine is not a drug-like molecule.
| MolName | (Z)-1-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine |
| MolecularFormula | C16H11N2BrS |
| Smiles | Brc1ccc(/C=N\c2nc(-c3ccccc3)cs2)cc1 |
| InChI | InChI=1S/C16H11BrN2S/c17-14-8-6-12(7-9-14)10-18-16-19-15(11-20-16)13-4-2-1-3-5-13/h1-11H |
| InChIK | XBTDQUNSHJWAMT-UHFFFAOYSA-N |
| TotalMolweight | 343.247 |
| Molweight | 343.247 |
| MonoisotopicMass | 341.982629 |
| CLogP | 5.1341 |
| CLogS | -5.503 |
| H Acceptors | 2 |
| TotalSurfaceArea | 230.87 |
| Relative PSA | 0.18556 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 0.34 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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