(Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphinothioyl-1-pyrrolidin-1-ylethanimine
Formula:C14H24N4Cl3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphinothioyl-1-pyrrolidin-1-ylethanimine is a drug-like molecule.
| MolName | (Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphinothioyl-1-pyrrolidin-1-ylethanimine |
| MolecularFormula | C14H24N4Cl3PS |
| Smiles | S=P(N1CCCC1)(N1CCCC1)/N=C(/C(Cl)(Cl)Cl)\N1CCCC1 |
| InChI | InChI=1S/C14H24Cl3N4PS/c15-14(16,17)13(19-7-1-2-8-19)18-22(23,20-9-3-4-10-20)21-11-5-6-12-21/h1-12H2 |
| InChIK | NMEPLXDIXSDQLF-UHFFFAOYSA-N |
| TotalMolweight | 417.772 |
| Molweight | 417.772 |
| MonoisotopicMass | 416.052484 |
| CLogP | 4.8575 |
| CLogS | -5.164 |
| H Acceptors | 4 |
| TotalSurfaceArea | 287.39 |
| Relative PSA | 0.18839 |
| PolarSurfaceArea | 63.98 |
| Druglikeness | -6.1694 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.3913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 15 |
| Symmetricatoms | 11 |
| BasicNitrogens | 1 |
| StereoCon |
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