[(E)-2-carboxy-1-phenylethenyl]-triphenylphosphanium
Formula:C27H22O2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-carboxy-1-phenylethenyl]-triphenylphosphanium is not a drug-like molecule.
| MolName | [(E)-2-carboxy-1-phenylethenyl]-triphenylphosphanium |
| MolecularFormula | C27H22O2P |
| Smiles | OC(/C=C(\c1ccccc1)/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C27H21O2P/c28-27(29)21-26(22-13-5-1-6-14-22)30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H/p+1 |
| InChIK | BUPNWYREPUXBIO-UHFFFAOYSA-O |
| TotalMolweight | 409.444 |
| Molweight | 409.444 |
| MonoisotopicMass | 409.135742 |
| CLogP | 6.1689 |
| CLogS | -5.478 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 314.85 |
| Relative PSA | 0.083024 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -8.646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.33333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| AcidicOxygens | 1 |
| StereoCon |
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