(Z)-2-diphenylphosphinothioyl-3-hydroxy-3-phenylprop-2-enenitrile
Formula:C21H16NOPS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
(Z)-2-diphenylphosphinothioyl-3-hydroxy-3-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-diphenylphosphinothioyl-3-hydroxy-3-phenylprop-2-enenitrile |
| MolecularFormula | C21H16NOPS |
| Smiles | N#C/C(/P(c1ccccc1)(c1ccccc1)=S)=C(\c1ccccc1)/O |
| InChI | InChI=1S/C21H16NOPS/c22-16-20(21(23)17-10-4-1-5-11-17)24(25,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,23H |
| InChIK | HRQVSECSKTZHIY-UHFFFAOYSA-N |
| TotalMolweight | 361.404 |
| Molweight | 361.404 |
| MonoisotopicMass | 361.069021 |
| CLogP | 4.9309 |
| CLogS | -6.239 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 282.49 |
| Relative PSA | 0.20758 |
| PolarSurfaceArea | 85.92 |
| Druglikeness | -19.334 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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