2-phenyl-6-[(E)-3-phenylprop-2-enoyl]benzo[de]isoquinoline-1,3-dione
Formula:C27H17NO3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-phenyl-6-[(E)-3-phenylprop-2-enoyl]benzo[de]isoquinoline-1,3-dione is not a drug-like molecule.
| MolName | 2-phenyl-6-[(E)-3-phenylprop-2-enoyl]benzo[de]isoquinoline-1,3-dione |
| MolecularFormula | C27H17NO3 |
| Smiles | O=C(/C=C/c1ccccc1)c(c1cccc(C(N2c3ccccc3)=O)c11)ccc1C2=O |
| InChI | InChI=1S/C27H17NO3/c29-24(17-14-18-8-3-1-4-9-18)20-15-16-23-25-21(20)12-7-13-22(25)26(30)28(27(23)31)19-10-5-2-6-11-19/h1-17H |
| InChIK | RIRWPVRZGCNHFA-UHFFFAOYSA-N |
| TotalMolweight | 403.436 |
| Molweight | 403.436 |
| MonoisotopicMass | 403.120844 |
| CLogP | 5.3274 |
| CLogS | -7.3 |
| H Acceptors | 4 |
| TotalSurfaceArea | 303.93 |
| Relative PSA | 0.14039 |
| PolarSurfaceArea | 54.45 |
| Druglikeness | 2.5612 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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