N'-(4-bromophenyl)sulfonylbenzenecarboximidamide
Formula:C13H11N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C13H11N2O2BrS |
| Smiles | N/C(/c1ccccc1)=N/S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C13H11BrN2O2S/c14-11-6-8-12(9-7-11)19(17,18)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16) |
| InChIK | VFPYBWPXYLLUJQ-UHFFFAOYSA-N |
| TotalMolweight | 339.212 |
| Molweight | 339.212 |
| MonoisotopicMass | 337.972459 |
| CLogP | 2.6747 |
| CLogS | -3.631 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 211.72 |
| Relative PSA | 0.26148 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -0.90192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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