10-[(E)-3-phenylprop-2-enylidene]anthracen-9-one
Formula:C23H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
10-[(E)-3-phenylprop-2-enylidene]anthracen-9-one is not a drug-like molecule.
| MolName | 10-[(E)-3-phenylprop-2-enylidene]anthracen-9-one |
| MolecularFormula | C23H16O |
| Smiles | O=C(c1c2cccc1)c(cccc1)c1C2=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H16O/c24-23-21-14-6-4-12-19(21)18(20-13-5-7-15-22(20)23)16-8-11-17-9-2-1-3-10-17/h1-16H |
| InChIK | CGJLFGFGPILALF-UHFFFAOYSA-N |
| TotalMolweight | 308.379 |
| Molweight | 308.379 |
| MonoisotopicMass | 308.120115 |
| CLogP | 5.815 |
| CLogS | -6.283 |
| H Acceptors | 1 |
| TotalSurfaceArea | 248.24 |
| Relative PSA | 0.05253 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.09092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 8 |
| StereoCon |
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