(Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphoryl-1-pyrrolidin-1-ylethanimine
Formula:C14H24N4OCl3P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphoryl-1-pyrrolidin-1-ylethanimine is a drug-like molecule.
| MolName | (Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphoryl-1-pyrrolidin-1-ylethanimine |
| MolecularFormula | C14H24N4OCl3P |
| Smiles | O=P(N1CCCC1)(N1CCCC1)/N=C(/C(Cl)(Cl)Cl)\N1CCCC1 |
| InChI | InChI=1S/C14H24Cl3N4OP/c15-14(16,17)13(19-7-1-2-8-19)18-23(22,20-9-3-4-10-20)21-11-5-6-12-21/h1-12H2 |
| InChIK | QHTJTUFNBGVGSQ-UHFFFAOYSA-N |
| TotalMolweight | 401.705 |
| Molweight | 401.705 |
| MonoisotopicMass | 400.075329 |
| CLogP | 3.0778 |
| CLogS | -3.326 |
| H Acceptors | 5 |
| TotalSurfaceArea | 272.43 |
| Relative PSA | 0.14382 |
| PolarSurfaceArea | 48.96 |
| Druglikeness | -9.8289 |
| 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 | 14 |
| Symmetricatoms | 11 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphoryl-1-pyrrolidin-1-ylethanimine | 2 - (Z)-2,2,2-trichloro-N-dipyrrolidin-1-ylphosphoryl-1-pyrrolidin-1-ylethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off