4-[(Z)-[4-(3-bromophenyl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
Formula:C23H14N4BrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[4-(3-bromophenyl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-[4-(3-bromophenyl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile |
| MolecularFormula | C23H14N4BrFS |
| Smiles | N#Cc1ccc(/C=N\N(C(c2cccc(Br)c2)=CS2)/C2=N/c(cccc2)c2F)cc1 |
| InChI | InChI=1S/C23H14BrFN4S/c24-19-5-3-4-18(12-19)22-15-30-23(28-21-7-2-1-6-20(21)25)29(22)27-14-17-10-8-16(13-26)9-11-17/h1-12,14-15H |
| InChIK | SOZVKAJBSLAKKF-UHFFFAOYSA-N |
| TotalMolweight | 477.36 |
| Molweight | 477.36 |
| MonoisotopicMass | 476.010655 |
| CLogP | 6.0257 |
| CLogS | -7.555 |
| H Acceptors | 4 |
| TotalSurfaceArea | 326.2 |
| Relative PSA | 0.17664 |
| PolarSurfaceArea | 77.05 |
| Druglikeness | -3.4052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-[(Z)-[4-(3-bromophenyl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile | 2 - 4-[(Z)-[4-(3-bromophenyl)-2-(2-fluorophenyl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
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