7-[(3,4-dichlorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
Formula:C22H14O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(3,4-dichlorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one is not a drug-like molecule.
| MolName | 7-[(3,4-dichlorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one |
| MolecularFormula | C22H14O4Cl2 |
| Smiles | Oc1cc(OCc(cc2)cc(Cl)c2Cl)cc(OC(c2ccccc2)=C2)c1C2=O |
| InChI | InChI=1S/C22H14Cl2O4/c23-16-7-6-13(8-17(16)24)12-27-15-9-18(25)22-19(26)11-20(28-21(22)10-15)14-4-2-1-3-5-14/h1-11,25H,12H2 |
| InChIK | ZNJXTBRQOAHYLB-UHFFFAOYSA-N |
| TotalMolweight | 413.255 |
| Molweight | 413.255 |
| MonoisotopicMass | 412.026914 |
| CLogP | 5.5872 |
| CLogS | -6.261 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.69 |
| Relative PSA | 0.15764 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | 0.20964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 7-[(3,4-dichlorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one | 2 - 7-[(3,4-dichlorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off