N'-(benzenesulfonamido)-2-(2,4-dichlorophenoxy)ethanimidamide
Formula:C14H13N3O3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N'-(benzenesulfonamido)-2-(2,4-dichlorophenoxy)ethanimidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonamido)-2-(2,4-dichlorophenoxy)ethanimidamide |
| MolecularFormula | C14H13N3O3Cl2S |
| Smiles | N/C(/COc(ccc(Cl)c1)c1Cl)=N/NS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C14H13Cl2N3O3S/c15-10-6-7-13(12(16)8-10)22-9-14(17)18-19-23(20,21)11-4-2-1-3-5-11/h1-8,19H,9H2,(H2,17,18) |
| InChIK | NDMMZTRXUUFWNP-UHFFFAOYSA-N |
| TotalMolweight | 374.247 |
| Molweight | 374.247 |
| MonoisotopicMass | 373.005466 |
| CLogP | 2.218 |
| CLogS | -2.933 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 259.15 |
| Relative PSA | 0.29643 |
| PolarSurfaceArea | 102.16 |
| Druglikeness | -4.1743 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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