2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione
Formula:C19H11N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]isoindole-1,3-dione |
| MolecularFormula | C19H11N3O5 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\N(C(c2c3cccc2)=O)C3=O)o1)=O |
| InChI | InChI=1S/C19H11N3O5/c23-18-15-3-1-2-4-16(15)19(24)21(18)20-11-14-9-10-17(27-14)12-5-7-13(8-6-12)22(25)26/h1-11H |
| InChIK | YUPYWPFMFODAQL-UHFFFAOYSA-N |
| TotalMolweight | 361.312 |
| Molweight | 361.312 |
| MonoisotopicMass | 361.069872 |
| CLogP | 2.669 |
| CLogS | -5.502 |
| H Acceptors | 8 |
| TotalSurfaceArea | 263.2 |
| Relative PSA | 0.32549 |
| PolarSurfaceArea | 108.7 |
| Druglikeness | 1.185 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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