(Z)-6-hydroxy-3,4-dioxo-6-phenylhex-5-enoic acid
Formula:C12H10O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-6-hydroxy-3,4-dioxo-6-phenylhex-5-enoic acid is a drug-like molecule.
| MolName | (Z)-6-hydroxy-3,4-dioxo-6-phenylhex-5-enoic acid |
| MolecularFormula | C12H10O5 |
| Smiles | OC(CC(C(/C=C(/c1ccccc1)\O)=O)=O)=O |
| InChI | InChI=1S/C12H10O5/c13-9(8-4-2-1-3-5-8)6-10(14)11(15)7-12(16)17/h1-6,13H,7H2,(H,16,17) |
| InChIK | GFBOYXAHBRBSDV-UHFFFAOYSA-N |
| TotalMolweight | 234.206 |
| Molweight | 234.206 |
| MonoisotopicMass | 234.052825 |
| CLogP | 0.026 |
| CLogS | -1.646 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 177.68 |
| Relative PSA | 0.36763 |
| PolarSurfaceArea | 91.67 |
| Druglikeness | -9.2232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-6-hydroxy-3,4-dioxo-6-phenylhex-5-enoic acid | 2 - (Z)-6-hydroxy-3,4-dioxo-6-phenylhex-5-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off