1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
Formula:C36H24N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide is not a drug-like molecule.
| MolName | 1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide |
| MolecularFormula | C36H24N4O4 |
| Smiles | O=C(/C=C/c(cc1)ccc1NC(c(cc1)cc(C(N2c(cc3)ccc3/N=N/c3ccccc3)=O)c1C2=O)=O)c1ccccc1 |
| InChI | InChI=1S/C36H24N4O4/c41-33(25-7-3-1-4-8-25)22-13-24-11-15-27(16-12-24)37-34(42)26-14-21-31-32(23-26)36(44)40(35(31)43)30-19-17-29(18-20-30)39-38-28-9-5-2-6-10-28/h1-23H,(H,37,42) |
| InChIK | ZMYPSUPUSXICHM-UHFFFAOYSA-N |
| TotalMolweight | 576.611 |
| Molweight | 576.611 |
| MonoisotopicMass | 576.179756 |
| CLogP | 7.4827 |
| CLogS | -9.698 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 441.08 |
| Relative PSA | 0.20448 |
| PolarSurfaceArea | 108.27 |
| Druglikeness | -1.4335 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 8 |
| Amides | 2 |
| StereoCon |
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1 - 1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide | 2 - 1,3-dioxo-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-2-(4-phenyldiazenylphenyl)isoindole-5-carboxamide
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