| MolName | [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(3,5-dichlorophenyl)carbamate |
| MolecularFormula | C15H12N3O4Cl2FS |
| Smiles | N/C(/CS(c(cc1)ccc1F)(=O)=O)=N/OC(Nc1cc(Cl)cc(Cl)c1)=O |
| InChI | InChI=1S/C15H12Cl2FN3O4S/c16-9-5-10(17)7-12(6-9)20-15(22)25-21-14(19)8-26(23,24)13-3-1-11(18)2-4-13/h1-7H,8H2,(H2,19,21)(H,20,22) |
| InChIK | MKLVRDXDGWXMSQ-UHFFFAOYSA-N |
| TotalMolweight | 420.247 |
| Molweight | 420.247 |
| MonoisotopicMass | 418.990959 |
| CLogP | 3.1164 |
| CLogS | -5.949 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 283.25 |
| Relative PSA | 0.31725 |
| PolarSurfaceArea | 119.23 |
| Druglikeness | -14.053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(3,5-dichlorophenyl)carbamate | 2 - [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(3,5-dichlorophenyl)carbamate