3-[(Z)-N-anilino-C-phenylcarbonimidoyl]-1,3-benzothiazole-2-thione
Formula:C20H15N3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-N-anilino-C-phenylcarbonimidoyl]-1,3-benzothiazole-2-thione is not a drug-like molecule.
| MolName | 3-[(Z)-N-anilino-C-phenylcarbonimidoyl]-1,3-benzothiazole-2-thione |
| MolecularFormula | C20H15N3S2 |
| Smiles | S=C1Sc(cccc2)c2N1/C(/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C20H15N3S2/c24-20-23(17-13-7-8-14-18(17)25-20)19(15-9-3-1-4-10-15)22-21-16-11-5-2-6-12-16/h1-14,21H |
| InChIK | ICLADYWKYSMLMP-UHFFFAOYSA-N |
| TotalMolweight | 361.492 |
| Molweight | 361.492 |
| MonoisotopicMass | 361.070737 |
| CLogP | 5.4262 |
| CLogS | -6.005 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 274.21 |
| Relative PSA | 0.26261 |
| PolarSurfaceArea | 85.02 |
| Druglikeness | 1.8328 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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