[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphinic acid
Formula:C9H11O3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphinic acid is a drug-like molecule.
| MolName | [(E)-1-hydroxy-3-phenylprop-2-enyl]phosphinic acid |
| MolecularFormula | C9H11O3P |
| Smiles | OC(/C=C/c1ccccc1)P(O)=O |
| InChI | InChI=1S/C9H11O3P/c10-9(13(11)12)7-6-8-4-2-1-3-5-8/h1-7,9-10,13H,(H,11,12) |
| InChIK | URSVXSYIZOAODU-UHFFFAOYSA-N |
| TotalMolweight | 198.157 |
| Molweight | 198.157 |
| MonoisotopicMass | 198.044582 |
| CLogP | -0.268 |
| CLogS | -1.779 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 146.45 |
| Relative PSA | 0.32564 |
| PolarSurfaceArea | 81 |
| Druglikeness | -11.339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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