(E)-3-anthracen-9-yl-1-(2-hydroxyphenyl)prop-2-en-1-one
Formula:C23H16O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-1-(2-hydroxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-1-(2-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C23H16O2 |
| Smiles | Oc(cccc1)c1C(/C=C/c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C23H16O2/c24-22-12-6-5-11-21(22)23(25)14-13-20-18-9-3-1-7-16(18)15-17-8-2-4-10-19(17)20/h1-15,24H |
| InChIK | IQBCAXKWFWUTKA-UHFFFAOYSA-N |
| TotalMolweight | 324.378 |
| Molweight | 324.378 |
| MonoisotopicMass | 324.11503 |
| CLogP | 5.3469 |
| CLogS | -6.756 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 252.82 |
| Relative PSA | 0.10339 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.13358 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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