2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzothiazole
Formula:C21H13N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzothiazole is not a drug-like molecule.
| MolName | 2-(4-phenylphthalazin-1-yl)sulfanyl-1,3-benzothiazole |
| MolecularFormula | C21H13N3S2 |
| Smiles | c(cc1)ccc1-c(c1ccccc11)nnc1Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C21H13N3S2/c1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20(24-23-19)26-21-22-17-12-6-7-13-18(17)25-21/h1-13H |
| InChIK | HFZGUCBJTSLJSW-UHFFFAOYSA-N |
| TotalMolweight | 371.487 |
| Molweight | 371.487 |
| MonoisotopicMass | 371.055087 |
| CLogP | 5.1948 |
| CLogS | -6.139 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.69 |
| Relative PSA | 0.26044 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -0.45497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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