4-[5-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]thiophen-2-yl]morpholine
Formula:C21H22N3OPS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[5-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]thiophen-2-yl]morpholine is not a drug-like molecule.
| MolName | 4-[5-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]thiophen-2-yl]morpholine |
| MolecularFormula | C21H22N3OPS2 |
| Smiles | S=P(c1ccccc1)(c1ccccc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C21H22N3OPS2/c27-26(18-7-3-1-4-8-18,19-9-5-2-6-10-19)23-22-17-20-11-12-21(28-20)24-13-15-25-16-14-24/h1-12,17H,13-16H2,(H,23,27) |
| InChIK | RASLKEUTEVKCHU-UHFFFAOYSA-N |
| TotalMolweight | 427.532 |
| Molweight | 427.532 |
| MonoisotopicMass | 427.094189 |
| CLogP | 5.0298 |
| CLogS | -5.631 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 325.51 |
| Relative PSA | 0.27299 |
| PolarSurfaceArea | 107 |
| Druglikeness | -9.2268 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| StereoCon |
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