(E)-2,3-bis(diphenylphosphanyl)but-2-enedioic acid
Formula:C28H22O4P2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2,3-bis(diphenylphosphanyl)but-2-enedioic acid is not a drug-like molecule.
| MolName | (E)-2,3-bis(diphenylphosphanyl)but-2-enedioic acid |
| MolecularFormula | C28H22O4P2 |
| Smiles | OC(/C(/P(c1ccccc1)c1ccccc1)=C(/C(O)=O)\P(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C28H22O4P2/c29-27(30)25(33(21-13-5-1-6-14-21)22-15-7-2-8-16-22)26(28(31)32)34(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H,(H,29,30)(H,31,32) |
| InChIK | XBHOBLSCYFPDJD-UHFFFAOYSA-N |
| TotalMolweight | 484.427 |
| Molweight | 484.427 |
| MonoisotopicMass | 484.099334 |
| CLogP | 5.5128 |
| CLogS | -7.274 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 337.16 |
| Relative PSA | 0.15506 |
| PolarSurfaceArea | 101.78 |
| Druglikeness | -14.671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.35294 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 25 |
| AcidicOxygens | 2 |
| StereoCon |
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