(Z)-2-diphenylphosphoryl-3-hydroxy-3-thiophen-2-ylprop-2-enenitrile
Formula:C19H14NO2PS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-diphenylphosphoryl-3-hydroxy-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-diphenylphosphoryl-3-hydroxy-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C19H14NO2PS |
| Smiles | N#C/C(/P(c1ccccc1)(c1ccccc1)=O)=C(\c1cccs1)/O |
| InChI | InChI=1S/C19H14NO2PS/c20-14-17(19(21)18-12-7-13-24-18)23(22,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,21H |
| InChIK | HMUOVVUNCIIJLC-UHFFFAOYSA-N |
| TotalMolweight | 351.365 |
| Molweight | 351.365 |
| MonoisotopicMass | 351.048286 |
| CLogP | 3.8473 |
| CLogS | -5.533 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 263.47 |
| Relative PSA | 0.24306 |
| PolarSurfaceArea | 99.14 |
| Druglikeness | -14.876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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