(Z)-4-hydroxy-4-(3-hydroxyphenyl)-2-oxobut-3-enoic acid
Formula:C10H8O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-hydroxy-4-(3-hydroxyphenyl)-2-oxobut-3-enoic acid is a drug-like molecule.
| MolName | (Z)-4-hydroxy-4-(3-hydroxyphenyl)-2-oxobut-3-enoic acid |
| MolecularFormula | C10H8O5 |
| Smiles | O/C(/c1cc(O)ccc1)=C\C(C(O)=O)=O |
| InChI | InChI=1S/C10H8O5/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-5,11-12H,(H,14,15) |
| InChIK | BKMYVWDEXQTAGB-UHFFFAOYSA-N |
| TotalMolweight | 208.169 |
| Molweight | 208.169 |
| MonoisotopicMass | 208.037175 |
| CLogP | -0.1755 |
| CLogS | -1.158 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 152.52 |
| Relative PSA | 0.42867 |
| PolarSurfaceArea | 94.83 |
| Druglikeness | -6.6118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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