2-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]isoindole-1,3-dione
Formula:C19H12N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C19H12N3O2Br |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cccn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C19H12BrN3O2/c20-13-7-9-14(10-8-13)22-11-3-4-15(22)12-21-23-18(24)16-5-1-2-6-17(16)19(23)25/h1-12H |
| InChIK | FSBDOCIHQPSISV-UHFFFAOYSA-N |
| TotalMolweight | 394.227 |
| Molweight | 394.227 |
| MonoisotopicMass | 393.011288 |
| CLogP | 3.6158 |
| CLogS | -6.753 |
| H Acceptors | 5 |
| TotalSurfaceArea | 257.67 |
| Relative PSA | 0.18632 |
| PolarSurfaceArea | 54.67 |
| Druglikeness | 2.8204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]isoindole-1,3-dione
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