(2E,6E)-2,6-bis[(2,4-dihydroxyphenyl)methylidene]cyclohexan-1-one
Formula:C20H18O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2,6-bis[(2,4-dihydroxyphenyl)methylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E,6E)-2,6-bis[(2,4-dihydroxyphenyl)methylidene]cyclohexan-1-one |
| MolecularFormula | C20H18O5 |
| Smiles | Oc1cc(O)c(/C=C(\CCC/C2=C\c(ccc(O)c3)c3O)/C2=O)cc1 |
| InChI | InChI=1S/C20H18O5/c21-16-6-4-12(18(23)10-16)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)11-19(13)24/h4-11,21-24H,1-3H2 |
| InChIK | JFESQQVBZPAHPN-UHFFFAOYSA-N |
| TotalMolweight | 338.358 |
| Molweight | 338.358 |
| MonoisotopicMass | 338.115425 |
| CLogP | 3.4552 |
| CLogS | -3.406 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 253.37 |
| Relative PSA | 0.25828 |
| PolarSurfaceArea | 97.99 |
| Druglikeness | -2.1035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 11 |
| StereoCon |
Click to Load Molecule:
1 - (2E,6E)-2,6-bis[(2,4-dihydroxyphenyl)methylidene]cyclohexan-1-one | 2 - (2E,6E)-2,6-bis[(2,4-dihydroxyphenyl)methylidene]cyclohexan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off