N'-(4-bromophenyl)sulfonyl-4-chlorobenzenecarboximidamide
Formula:C13H10N2O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-4-chlorobenzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-4-chlorobenzenecarboximidamide |
| MolecularFormula | C13H10N2O2BrClS |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C13H10BrClN2O2S/c14-10-3-7-12(8-4-10)20(18,19)17-13(16)9-1-5-11(15)6-2-9/h1-8H,(H2,16,17) |
| InChIK | NJLGLHGVLMJAIG-UHFFFAOYSA-N |
| TotalMolweight | 373.657 |
| Molweight | 373.657 |
| MonoisotopicMass | 371.933486 |
| CLogP | 3.2807 |
| CLogS | -4.367 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.14 |
| Relative PSA | 0.24373 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -0.23921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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