(3Z)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one
Formula:C17H14O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one is a drug-like molecule.
| MolName | (3Z)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one |
| MolecularFormula | C17H14O5 |
| Smiles | OC(Cc(ccc(O)c1)c1O1)/C(/c(cc2)ccc2O)=C\C1=O |
| InChI | InChI=1S/C17H14O5/c18-12-4-1-10(2-5-12)14-9-17(21)22-16-8-13(19)6-3-11(16)7-15(14)20/h1-6,8-9,15,18-20H,7H2/t15-/m1/s1 |
| InChIK | WRIXGOHFTHKWMM-OAHLLOKOSA-N |
| TotalMolweight | 298.293 |
| Molweight | 298.293 |
| MonoisotopicMass | 298.084125 |
| CLogP | 2.1632 |
| CLogS | -2.513 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 217.29 |
| Relative PSA | 0.2869 |
| PolarSurfaceArea | 86.99 |
| Druglikeness | -1.3881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - (3Z)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one | 2 - (3Z)-5,9-dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one
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