N'-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)benzenecarboximidamide
Formula:C19H14N2O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)benzenecarboximidamide |
| MolecularFormula | C19H14N2O2BrClS |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(/c1ccccc1)\Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H14BrClN2O2S/c20-15-6-12-18(13-7-15)26(24,25)23-19(14-4-2-1-3-5-14)22-17-10-8-16(21)9-11-17/h1-13H,(H,22,23) |
| InChIK | IXSROJADHCHWAV-UHFFFAOYSA-N |
| TotalMolweight | 449.755 |
| Molweight | 449.755 |
| MonoisotopicMass | 447.964786 |
| CLogP | 5.3409 |
| CLogS | -5.79 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.84 |
| Relative PSA | 0.17786 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | 0.95986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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