3-[(Z)-naphthalen-1-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione
Formula:C20H15N3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-naphthalen-1-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione is a drug-like molecule.
| MolName | 3-[(Z)-naphthalen-1-ylmethylideneamino]-5-phenyl-1H-imidazole-2-thione |
| MolecularFormula | C20H15N3S |
| Smiles | S=C(NC(c1ccccc1)=C1)N1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C20H15N3S/c24-20-22-19(16-8-2-1-3-9-16)14-23(20)21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H,(H,22,24) |
| InChIK | MUEJPLOMHIPDET-UHFFFAOYSA-N |
| TotalMolweight | 329.426 |
| Molweight | 329.426 |
| MonoisotopicMass | 329.098667 |
| CLogP | 4.6205 |
| CLogS | -5.823 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.06 |
| Relative PSA | 0.21127 |
| PolarSurfaceArea | 59.72 |
| Druglikeness | 3.4867 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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