3-[(Z)-(4-bromophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione
Formula:C16H12N3BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(4-bromophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione is a drug-like molecule.
| MolName | 3-[(Z)-(4-bromophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione |
| MolecularFormula | C16H12N3BrS |
| Smiles | S=C(NC(c1ccccc1)=C1)N1/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H12BrN3S/c17-14-8-6-12(7-9-14)10-18-20-11-15(19-16(20)21)13-4-2-1-3-5-13/h1-11H,(H,19,21) |
| InChIK | MAQGIXGUXKNQNI-UHFFFAOYSA-N |
| TotalMolweight | 358.262 |
| Molweight | 358.262 |
| MonoisotopicMass | 356.993528 |
| CLogP | 4.1513 |
| CLogS | -5.051 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.09 |
| Relative PSA | 0.22521 |
| PolarSurfaceArea | 59.72 |
| Druglikeness | 1.6967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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