(1S)-2-pyridin-2-yl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
Formula:C21H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-2-pyridin-2-yl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is a drug-like molecule.
| MolName | (1S)-2-pyridin-2-yl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C21H13N3O3 |
| Smiles | O=C(C(Oc1c2cccc1)=C([C@@H]1c3cnccc3)C2=O)N1c1ncccc1 |
| InChI | InChI=1S/C21H13N3O3/c25-19-14-7-1-2-8-15(14)27-20-17(19)18(13-6-5-10-22-12-13)24(21(20)26)16-9-3-4-11-23-16/h1-12,18H/t18-/m0/s1 |
| InChIK | UVAHGGHENQFUGP-SFHVURJKSA-N |
| TotalMolweight | 355.352 |
| Molweight | 355.352 |
| MonoisotopicMass | 355.095692 |
| CLogP | 2.3074 |
| CLogS | -3.863 |
| H Acceptors | 6 |
| TotalSurfaceArea | 254.52 |
| Relative PSA | 0.24191 |
| PolarSurfaceArea | 72.39 |
| Druglikeness | 2.6612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (1S)-2-pyridin-2-yl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1S)-2-pyridin-2-yl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
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