N'-(4-bromophenyl)sulfonyl-N-naphthalen-1-ylbenzenecarboximidamide
Formula:C23H17N2O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-naphthalen-1-ylbenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-naphthalen-1-ylbenzenecarboximidamide |
| MolecularFormula | C23H17N2O2BrS |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Nc1cccc2ccccc12)=O |
| InChI | InChI=1S/C23H17BrN2O2S/c24-19-13-15-20(16-14-19)29(27,28)26-23(18-8-2-1-3-9-18)25-22-12-6-10-17-7-4-5-11-21(17)22/h1-16H,(H,25,26) |
| InChIK | GUXYDVMUCUVUCN-UHFFFAOYSA-N |
| TotalMolweight | 465.37 |
| Molweight | 465.37 |
| MonoisotopicMass | 464.019409 |
| CLogP | 5.9293 |
| CLogS | -6.66 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.02 |
| Relative PSA | 0.16682 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -0.085881 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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