[(E)-2-phenylethenyl]phosphinic acid
Formula:C8H9O2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-phenylethenyl]phosphinic acid is a drug-like molecule.
| MolName | [(E)-2-phenylethenyl]phosphinic acid |
| MolecularFormula | C8H9O2P |
| Smiles | OP(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C8H9O2P/c9-11(10)7-6-8-4-2-1-3-5-8/h1-7,11H,(H,9,10) |
| InChIK | MTIBOJXFFFKNJX-UHFFFAOYSA-N |
| TotalMolweight | 168.131 |
| Molweight | 168.131 |
| MonoisotopicMass | 168.034017 |
| CLogP | 0.0992 |
| CLogS | -2.052 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 127.6 |
| Relative PSA | 0.27108 |
| PolarSurfaceArea | 60.77 |
| Druglikeness | -11.678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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