5-hydroxy-2-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-4-one
Formula:C24H18O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-hydroxy-2-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-4-one is not a drug-like molecule.
| MolName | 5-hydroxy-2-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-4-one |
| MolecularFormula | C24H18O4 |
| Smiles | Oc1cc(OC/C=C/c2ccccc2)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C24H18O4/c25-20-14-19(27-13-7-10-17-8-3-1-4-9-17)15-23-24(20)21(26)16-22(28-23)18-11-5-2-6-12-18/h1-12,14-16,25H,13H2 |
| InChIK | VXRQEDMGPFPQNN-UHFFFAOYSA-N |
| TotalMolweight | 370.403 |
| Molweight | 370.403 |
| MonoisotopicMass | 370.12051 |
| CLogP | 5.1364 |
| CLogS | -5.306 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.35 |
| Relative PSA | 0.16001 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | 0.17766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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