[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl] benzenecarbodithioate
Formula:C20H15NO2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl] benzenecarbodithioate is a drug-like molecule.
| MolName | [(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl] benzenecarbodithioate |
| MolecularFormula | C20H15NO2S3 |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/SC(c1ccccc1)=S)=O |
| InChI | InChI=1S/C20H15NO2S3/c22-26(23,18-14-8-3-9-15-18)21-19(16-10-4-1-5-11-16)25-20(24)17-12-6-2-7-13-17/h1-15H |
| InChIK | YWGQOVCOWBQYQI-UHFFFAOYSA-N |
| TotalMolweight | 397.542 |
| Molweight | 397.542 |
| MonoisotopicMass | 397.026489 |
| CLogP | 4.1888 |
| CLogS | -4.731 |
| H Acceptors | 3 |
| TotalSurfaceArea | 294.53 |
| Relative PSA | 0.29056 |
| PolarSurfaceArea | 112.27 |
| Druglikeness | -6.1351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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