2-[(E)-2-anthracen-9-ylethenyl]anthracene-9,10-dione
Formula:C30H18O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(E)-2-anthracen-9-ylethenyl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 2-[(E)-2-anthracen-9-ylethenyl]anthracene-9,10-dione |
| MolecularFormula | C30H18O2 |
| Smiles | O=C(c1c2cccc1)c(ccc(/C=C/c1c(cccc3)c3cc3ccccc13)c1)c1C2=O |
| InChI | InChI=1S/C30H18O2/c31-29-25-11-5-6-12-26(25)30(32)28-17-19(14-16-27(28)29)13-15-24-22-9-3-1-7-20(22)18-21-8-2-4-10-23(21)24/h1-18H |
| InChIK | GDXKHDOCQIQUIA-UHFFFAOYSA-N |
| TotalMolweight | 410.471 |
| Molweight | 410.471 |
| MonoisotopicMass | 410.13068 |
| CLogP | 7.6292 |
| CLogS | -10.078 |
| H Acceptors | 2 |
| TotalSurfaceArea | 310.48 |
| Relative PSA | 0.083999 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -0.82829 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 6 |
| StereoCon |
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