| MolName | (3Z)-3-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C19H13N2OCl |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H13ClN2O/c20-13-7-9-14(10-8-13)22-11-3-4-15(22)12-17-16-5-1-2-6-18(16)21-19(17)23/h1-12H,(H,21,23) |
| InChIK | LLRBKJYGSQUHEB-UHFFFAOYSA-N |
| TotalMolweight | 320.778 |
| Molweight | 320.778 |
| MonoisotopicMass | 320.07164 |
| CLogP | 3.1106 |
| CLogS | -6.442 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 237.82 |
| Relative PSA | 0.13191 |
| PolarSurfaceArea | 34.03 |
| Druglikeness | 3.687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1H-indol-2-one | 2 - (3Z)-3-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1H-indol-2-one