| MolName | (1R)-1-(3-bromophenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C22H12N2O3BrCl |
| Smiles | O=C(C(Oc(cc1)c2cc1Cl)=C([C@H]1c3cccc(Br)c3)C2=O)N1c1ncccc1 |
| InChI | InChI=1S/C22H12BrClN2O3/c23-13-5-3-4-12(10-13)19-18-20(27)15-11-14(24)7-8-16(15)29-21(18)22(28)26(19)17-6-1-2-9-25-17/h1-11,19H/t19-/m1/s1 |
| InChIK | QFLGHJIMUQRPCP-LJQANCHMSA-N |
| TotalMolweight | 467.705 |
| Molweight | 467.705 |
| MonoisotopicMass | 465.971981 |
| CLogP | 4.6395 |
| CLogS | -6.228 |
| H Acceptors | 5 |
| TotalSurfaceArea | 289.81 |
| Relative PSA | 0.1746 |
| PolarSurfaceArea | 59.5 |
| Druglikeness | 0.93349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (1R)-1-(3-bromophenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1R)-1-(3-bromophenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione