5-hydroxy-7-(2-oxocyclohexyl)oxy-2-phenylchromen-4-one
Formula:C21H18O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-hydroxy-7-(2-oxocyclohexyl)oxy-2-phenylchromen-4-one is a drug-like molecule.
| MolName | 5-hydroxy-7-(2-oxocyclohexyl)oxy-2-phenylchromen-4-one |
| MolecularFormula | C21H18O5 |
| Smiles | Oc1cc(OC(CCCC2)C2=O)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C21H18O5/c22-15-8-4-5-9-18(15)25-14-10-16(23)21-17(24)12-19(26-20(21)11-14)13-6-2-1-3-7-13/h1-3,6-7,10-12,18,23H,4-5,8-9H2/t18-/m0/s1 |
| InChIK | FOFVEQNMJXLXBU-SFHVURJKSA-N |
| TotalMolweight | 350.369 |
| Molweight | 350.369 |
| MonoisotopicMass | 350.115425 |
| CLogP | 3.8044 |
| CLogS | -4.692 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.12 |
| Relative PSA | 0.22751 |
| PolarSurfaceArea | 72.83 |
| Druglikeness | -6.7593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-hydroxy-7-(2-oxocyclohexyl)oxy-2-phenylchromen-4-one | 2 - 5-hydroxy-7-(2-oxocyclohexyl)oxy-2-phenylchromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off