[(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 3,5-dichlorobenzoate
Formula:C15H11N2O4Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 3,5-dichlorobenzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 3,5-dichlorobenzoate |
| MolecularFormula | C15H11N2O4Cl3S |
| Smiles | N/C(/CS(c(cc1)ccc1Cl)(=O)=O)=N/OC(c1cc(Cl)cc(Cl)c1)=O |
| InChI | InChI=1S/C15H11Cl3N2O4S/c16-10-1-3-13(4-2-10)25(22,23)8-14(19)20-24-15(21)9-5-11(17)7-12(18)6-9/h1-7H,8H2,(H2,19,20) |
| InChIK | JQHZLSLJJQAWOB-UHFFFAOYSA-N |
| TotalMolweight | 421.687 |
| Molweight | 421.687 |
| MonoisotopicMass | 419.950509 |
| CLogP | 3.6277 |
| CLogS | -5.855 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.86 |
| Relative PSA | 0.27914 |
| PolarSurfaceArea | 107.2 |
| Druglikeness | -10.597 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| 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 | 6 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 3,5-dichlorobenzoate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)sulfonylethylidene]amino] 3,5-dichlorobenzoate
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