(3Z)-3-[[1-(4-bromophenyl)pyrrol-3-yl]methylidene]-1H-indol-2-one
Formula:C19H13N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[[1-(4-bromophenyl)pyrrol-3-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[1-(4-bromophenyl)pyrrol-3-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C19H13N2OBr |
| Smiles | O=C1Nc(cccc2)c2/C1=C/c(cc1)cn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C19H13BrN2O/c20-14-5-7-15(8-6-14)22-10-9-13(12-22)11-17-16-3-1-2-4-18(16)21-19(17)23/h1-12H,(H,21,23) |
| InChIK | ZQIXZHFHERZVTI-UHFFFAOYSA-N |
| TotalMolweight | 365.229 |
| Molweight | 365.229 |
| MonoisotopicMass | 364.021124 |
| CLogP | 3.1758 |
| CLogS | -6.516 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.03 |
| Relative PSA | 0.13015 |
| PolarSurfaceArea | 34.03 |
| Druglikeness | 1.5925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| 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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