(1S)-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
Formula:C22H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S)-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is a drug-like molecule.
| MolName | (1S)-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C22H13N3O5 |
| Smiles | [O-][N+](c1ccc([C@@H](C2=C(C3=O)Oc(cccc4)c4C2=O)N3c2ncccc2)cc1)=O |
| InChI | InChI=1S/C22H13N3O5/c26-20-15-5-1-2-6-16(15)30-21-18(20)19(13-8-10-14(11-9-13)25(28)29)24(22(21)27)17-7-3-4-12-23-17/h1-12,19H/t19-/m0/s1 |
| InChIK | QMUSTZPCIQCRAY-IBGZPJMESA-N |
| TotalMolweight | 399.361 |
| Molweight | 399.361 |
| MonoisotopicMass | 399.085522 |
| CLogP | 2.3867 |
| CLogS | -5.118 |
| H Acceptors | 8 |
| TotalSurfaceArea | 279.43 |
| Relative PSA | 0.28995 |
| PolarSurfaceArea | 105.32 |
| Druglikeness | -2.4008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (1S)-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1S)-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
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