[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl] benzenecarbodithioate
Formula:C20H14NO2ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl] benzenecarbodithioate is a drug-like molecule.
| MolName | [(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl] benzenecarbodithioate |
| MolecularFormula | C20H14NO2ClS3 |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c1ccccc1)/SC(c1ccccc1)=S)=O |
| InChI | InChI=1S/C20H14ClNO2S3/c21-17-11-13-18(14-12-17)27(23,24)22-19(15-7-3-1-4-8-15)26-20(25)16-9-5-2-6-10-16/h1-14H |
| InChIK | FGCAWINSZOLPHC-UHFFFAOYSA-N |
| TotalMolweight | 431.987 |
| Molweight | 431.987 |
| MonoisotopicMass | 430.987516 |
| CLogP | 4.7948 |
| CLogS | -5.467 |
| H Acceptors | 3 |
| TotalSurfaceArea | 309.95 |
| Relative PSA | 0.27611 |
| PolarSurfaceArea | 112.27 |
| Druglikeness | 2.4928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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