(Z)-2-diphenylphosphoryl-3-hydroxy-4-phenylbut-2-enenitrile
Formula:C22H18NO2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-diphenylphosphoryl-3-hydroxy-4-phenylbut-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-diphenylphosphoryl-3-hydroxy-4-phenylbut-2-enenitrile |
| MolecularFormula | C22H18NO2P |
| Smiles | N#C/C(/P(c1ccccc1)(c1ccccc1)=O)=C(\Cc1ccccc1)/O |
| InChI | InChI=1S/C22H18NO2P/c23-17-22(21(24)16-18-10-4-1-5-11-18)26(25,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,24H,16H2 |
| InChIK | MNGZEMMPJWCHOZ-UHFFFAOYSA-N |
| TotalMolweight | 359.364 |
| Molweight | 359.364 |
| MonoisotopicMass | 359.107516 |
| CLogP | 4.8446 |
| CLogS | -5.828 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 281.29 |
| Relative PSA | 0.15528 |
| PolarSurfaceArea | 70.9 |
| Druglikeness | -17.794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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