(7-hydroxy-4-oxochromen-3-yl)-triphenylphosphanium
Formula:C27H20O3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7-hydroxy-4-oxochromen-3-yl)-triphenylphosphanium is not a drug-like molecule.
| MolName | (7-hydroxy-4-oxochromen-3-yl)-triphenylphosphanium |
| MolecularFormula | C27H20O3P |
| Smiles | Oc(cc1)cc(OC=C2[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c1C2=O |
| InChI | InChI=1S/C27H19O3P/c28-20-16-17-24-25(18-20)30-19-26(27(24)29)31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/p+1 |
| InChIK | FSSBPOALFSNBMU-UHFFFAOYSA-O |
| TotalMolweight | 423.427 |
| Molweight | 423.427 |
| MonoisotopicMass | 423.115007 |
| CLogP | 5.899 |
| CLogS | -7.383 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 311.35 |
| Relative PSA | 0.11608 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -9.1572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.3871 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 14 |
| StereoCon |
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