[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Formula:C24H24O8
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| MolecularFormula | C24H24O8 |
| Smiles | Oc(ccc(/C=C/C(OC(CCCC1)C1OC(/C=C/c(cc1)cc(O)c1O)=O)=O)c1)c1O |
| InChI | InChI=1S/C24H24O8/c25-17-9-5-15(13-19(17)27)7-11-23(29)31-21-3-1-2-4-22(21)32-24(30)12-8-16-6-10-18(26)20(28)14-16/h5-14,21-22,25-28H,1-4H2 |
| InChIK | ABRIKWKVYABQBU-UHFFFAOYSA-N |
| TotalMolweight | 440.447 |
| Molweight | 440.447 |
| MonoisotopicMass | 440.14712 |
| CLogP | 3.4802 |
| CLogS | -4.068 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 333.46 |
| Relative PSA | 0.29533 |
| PolarSurfaceArea | 133.52 |
| Druglikeness | -7.3803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 16 |
| StereoCon | unknown chirality |
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1 - [2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | 2 - [2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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