[(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C15H13N3O4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C15H13N3O4ClFS |
| Smiles | N/C(/CS(c(cc1)ccc1F)(=O)=O)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H13ClFN3O4S/c16-10-1-5-12(6-2-10)19-15(21)24-20-14(18)9-25(22,23)13-7-3-11(17)4-8-13/h1-8H,9H2,(H2,18,20)(H,19,21) |
| InChIK | KNSZMWUWCIOIQM-UHFFFAOYSA-N |
| TotalMolweight | 385.802 |
| Molweight | 385.802 |
| MonoisotopicMass | 385.029932 |
| CLogP | 2.5104 |
| CLogS | -5.213 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 267.83 |
| Relative PSA | 0.33551 |
| PolarSurfaceArea | 119.23 |
| Druglikeness | -9.2257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[1-amino-2-(4-fluorophenyl)sulfonylethylidene]amino] N-(4-chlorophenyl)carbamate
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