N'-(benzenesulfonyl)-N-(4-phenylphenyl)benzenecarboximidamide
Formula:C25H20N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(4-phenylphenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(4-phenylphenyl)benzenecarboximidamide |
| MolecularFormula | C25H20N2O2S |
| Smiles | O=S(c1ccccc1)(/N=C(/c1ccccc1)\Nc(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C25H20N2O2S/c28-30(29,24-14-8-3-9-15-24)27-25(22-12-6-2-7-13-22)26-23-18-16-21(17-19-23)20-10-4-1-5-11-20/h1-19H,(H,26,27) |
| InChIK | KGDHBSLYFFLVJQ-UHFFFAOYSA-N |
| TotalMolweight | 412.512 |
| Molweight | 412.512 |
| MonoisotopicMass | 412.124548 |
| CLogP | 5.6689 |
| CLogS | -6.306 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.55 |
| Relative PSA | 0.16337 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -5.5213 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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