N'-(4-bromophenyl)sulfonyl-N-(4-hydroxyphenyl)benzenecarboximidamide
Formula:C19H15N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(4-bromophenyl)sulfonyl-N-(4-hydroxyphenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(4-bromophenyl)sulfonyl-N-(4-hydroxyphenyl)benzenecarboximidamide |
| MolecularFormula | C19H15N2O3BrS |
| Smiles | Oc(cc1)ccc1N/C(/c1ccccc1)=N\S(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C19H15BrN2O3S/c20-15-6-12-18(13-7-15)26(24,25)22-19(14-4-2-1-3-5-14)21-16-8-10-17(23)11-9-16/h1-13,23H,(H,21,22) |
| InChIK | PAOOPNLHJPOFFI-UHFFFAOYSA-N |
| TotalMolweight | 431.309 |
| Molweight | 431.309 |
| MonoisotopicMass | 429.998674 |
| CLogP | 4.3892 |
| CLogS | -4.758 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 280.77 |
| Relative PSA | 0.23026 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 0.26442 |
| 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 | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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