1-(benzenesulfonyl)-5-bromo-3-[(E)-2-nitroethenyl]indole
Formula:C16H11N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(benzenesulfonyl)-5-bromo-3-[(E)-2-nitroethenyl]indole is a drug-like molecule.
| MolName | 1-(benzenesulfonyl)-5-bromo-3-[(E)-2-nitroethenyl]indole |
| MolecularFormula | C16H11N2O4BrS |
| Smiles | [O-][N+](/C=C/c(c1c2ccc(Br)c1)cn2S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C16H11BrN2O4S/c17-13-6-7-16-15(10-13)12(8-9-19(20)21)11-18(16)24(22,23)14-4-2-1-3-5-14/h1-11H |
| InChIK | KRLKRGLPISPXCL-UHFFFAOYSA-N |
| TotalMolweight | 407.243 |
| Molweight | 407.243 |
| MonoisotopicMass | 405.962289 |
| CLogP | 1.7856 |
| CLogS | -7.484 |
| H Acceptors | 6 |
| TotalSurfaceArea | 254.2 |
| Relative PSA | 0.25913 |
| PolarSurfaceArea | 93.27 |
| Druglikeness | -12.454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-(benzenesulfonyl)-5-bromo-3-[(E)-2-nitroethenyl]indole | 2 - 1-(benzenesulfonyl)-5-bromo-3-[(E)-2-nitroethenyl]indole
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