(1R)-1-(3,4-dichlorophenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Formula:C24H23N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R)-1-(3,4-dichlorophenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is a drug-like molecule.
| MolName | (1R)-1-(3,4-dichlorophenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione |
| MolecularFormula | C24H23N2O4Cl2 |
| Smiles | O=C(C(Oc1c2cccc1)=C1C2=O)N(CCC[NH+]2CCOCC2)[C@@H]1c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C24H22Cl2N2O4/c25-17-7-6-15(14-18(17)26)21-20-22(29)16-4-1-2-5-19(16)32-23(20)24(30)28(21)9-3-8-27-10-12-31-13-11-27/h1-2,4-7,14,21H,3,8-13H2/p+1/t21-/m1/s1 |
| InChIK | RTNWZFOOBIECMZ-OAQYLSRUSA-O |
| TotalMolweight | 474.363 |
| Molweight | 474.363 |
| MonoisotopicMass | 473.103487 |
| CLogP | 1.6881 |
| CLogS | -4.315 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 345.24 |
| Relative PSA | 0.19471 |
| PolarSurfaceArea | 60.28 |
| Druglikeness | 2.1291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R)-1-(3,4-dichlorophenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione | 2 - (1R)-1-(3,4-dichlorophenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
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