(Z)-1-(4-bromophenyl)-N-(6-chloro-1,3-benzothiazol-2-yl)methanimine
Formula:C14H8N2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-bromophenyl)-N-(6-chloro-1,3-benzothiazol-2-yl)methanimine is not a drug-like molecule.
| MolName | (Z)-1-(4-bromophenyl)-N-(6-chloro-1,3-benzothiazol-2-yl)methanimine |
| MolecularFormula | C14H8N2BrClS |
| Smiles | Clc(cc1)cc2c1nc(/N=C\c(cc1)ccc1Br)s2 |
| InChI | InChI=1S/C14H8BrClN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-6-5-11(16)7-13(12)19-14/h1-8H |
| InChIK | HKKMTINBQLULNL-UHFFFAOYSA-N |
| TotalMolweight | 351.655 |
| Molweight | 351.655 |
| MonoisotopicMass | 349.928006 |
| CLogP | 5.167 |
| CLogS | -5.695 |
| H Acceptors | 2 |
| TotalSurfaceArea | 221.13 |
| Relative PSA | 0.19373 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -1.4226 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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