(E)-1-diphenylphosphoryl-3-phenylprop-2-en-1-ol
Formula:C21H19O2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-diphenylphosphoryl-3-phenylprop-2-en-1-ol is a drug-like molecule.
| MolName | (E)-1-diphenylphosphoryl-3-phenylprop-2-en-1-ol |
| MolecularFormula | C21H19O2P |
| Smiles | OC(/C=C/c1ccccc1)P(c1ccccc1)(c1ccccc1)=O |
| InChI | InChI=1S/C21H19O2P/c22-21(17-16-18-10-4-1-5-11-18)24(23,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-22H/t21-/m0/s1 |
| InChIK | ZFUGWECZPUGMDF-NRFANRHFSA-N |
| TotalMolweight | 334.354 |
| Molweight | 334.354 |
| MonoisotopicMass | 334.112267 |
| CLogP | 4.347 |
| CLogS | -5.183 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 261.9 |
| Relative PSA | 0.11501 |
| PolarSurfaceArea | 47.11 |
| Druglikeness | -13.699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon | racemate |
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