(1S)-1-(4-fluorophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
Formula:C22H13N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-1-(4-fluorophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is a drug-like molecule.
| MolName | (1S)-1-(4-fluorophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C22H13N2O3F |
| Smiles | O=C(C(Oc1c2cccc1)=C([C@@H]1c(cc3)ccc3F)C2=O)N1c1ncccc1 |
| InChI | InChI=1S/C22H13FN2O3/c23-14-10-8-13(9-11-14)19-18-20(26)15-5-1-2-6-16(15)28-21(18)22(27)25(19)17-7-3-4-12-24-17/h1-12,19H/t19-/m0/s1 |
| InChIK | DRVJBBKZOYDNGA-IBGZPJMESA-N |
| TotalMolweight | 372.354 |
| Molweight | 372.354 |
| MonoisotopicMass | 372.091021 |
| CLogP | 3.4091 |
| CLogS | -4.972 |
| H Acceptors | 5 |
| TotalSurfaceArea | 262.11 |
| Relative PSA | 0.19305 |
| PolarSurfaceArea | 59.5 |
| Druglikeness | 1.3212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (1S)-1-(4-fluorophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1S)-1-(4-fluorophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
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