N'-(benzenesulfonyl)-2,2,2-trichloro-N-pyridin-4-ylethanimidamide
Formula:C13H10N3O2Cl3S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N'-(benzenesulfonyl)-2,2,2-trichloro-N-pyridin-4-ylethanimidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-2,2,2-trichloro-N-pyridin-4-ylethanimidamide |
| MolecularFormula | C13H10N3O2Cl3S |
| Smiles | O=S(c1ccccc1)(/N=C(/C(Cl)(Cl)Cl)\Nc1ccncc1)=O |
| InChI | InChI=1S/C13H10Cl3N3O2S/c14-13(15,16)12(18-10-6-8-17-9-7-10)19-22(20,21)11-4-2-1-3-5-11/h1-9H,(H,17,18,19) |
| InChIK | OFFVJKIMRHTROA-UHFFFAOYSA-N |
| TotalMolweight | 378.666 |
| Molweight | 378.666 |
| MonoisotopicMass | 376.955928 |
| CLogP | 3.0095 |
| CLogS | -3.456 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.46 |
| Relative PSA | 0.24863 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | -6.5504 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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