| MolName | (3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C23H20N3O3Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(\c(ccc(Cl)c2)c2N2)/C2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C23H20ClN3O3/c24-16-5-6-18-19(23(29)25-20(18)12-16)11-15-13-27(21-4-2-1-3-17(15)21)14-22(28)26-7-9-30-10-8-26/h1-6,11-13H,7-10,14H2,(H,25,29) |
| InChIK | MWXFFOKRVKUAMC-UHFFFAOYSA-N |
| TotalMolweight | 421.883 |
| Molweight | 421.883 |
| MonoisotopicMass | 421.119319 |
| CLogP | 2.2128 |
| CLogS | -3.47 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.01 |
| Relative PSA | 0.18941 |
| PolarSurfaceArea | 63.57 |
| Druglikeness | 4.8134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one | 2 - (3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one