(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
Formula:C23H16O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one is not a drug-like molecule.
| MolName | (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one |
| MolecularFormula | C23H16O4 |
| Smiles | O=C(/C1=C\c(cc2)cc3c2OCO3)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C23H16O4/c24-22-17-8-4-5-9-19(17)27-23(16-6-2-1-3-7-16)18(22)12-15-10-11-20-21(13-15)26-14-25-20/h1-13,23H,14H2/t23-/m0/s1 |
| InChIK | WYGWELPFUYJZON-QHCPKHFHSA-N |
| TotalMolweight | 356.376 |
| Molweight | 356.376 |
| MonoisotopicMass | 356.10486 |
| CLogP | 5.0514 |
| CLogS | -5.633 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.5 |
| Relative PSA | 0.16272 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | 0.63948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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