(Z)-2,2,2-trichloro-N-dimorpholin-4-ylphosphinothioyl-1-morpholin-4-ylethanimine
Formula:C14H24N4O3Cl3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-2,2,2-trichloro-N-dimorpholin-4-ylphosphinothioyl-1-morpholin-4-ylethanimine is a drug-like molecule.
| MolName | (Z)-2,2,2-trichloro-N-dimorpholin-4-ylphosphinothioyl-1-morpholin-4-ylethanimine |
| MolecularFormula | C14H24N4O3Cl3PS |
| Smiles | S=P(N1CCOCC1)(N1CCOCC1)/N=C(/C(Cl)(Cl)Cl)\N1CCOCC1 |
| InChI | InChI=1S/C14H24Cl3N4O3PS/c15-14(16,17)13(19-1-7-22-8-2-19)18-25(26,20-3-9-23-10-4-20)21-5-11-24-12-6-21/h1-12H2 |
| InChIK | HPCLDAZBWDNRCN-UHFFFAOYSA-N |
| TotalMolweight | 465.769 |
| Molweight | 465.769 |
| MonoisotopicMass | 464.037229 |
| CLogP | 2.3915 |
| CLogS | -3.307 |
| H Acceptors | 7 |
| TotalSurfaceArea | 317.39 |
| Relative PSA | 0.2651 |
| PolarSurfaceArea | 91.67 |
| Druglikeness | -3.2933 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42308 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 18 |
| Symmetricatoms | 12 |
| BasicNitrogens | 1 |
| StereoCon |
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