(E)-1,4-bis[bis(chloromethyl)phosphoryloxy]-2,3-dibromobut-2-ene
Formula:C8H12O4Br2Cl4P2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(E)-1,4-bis[bis(chloromethyl)phosphoryloxy]-2,3-dibromobut-2-ene is not a drug-like molecule.
| MolName | (E)-1,4-bis[bis(chloromethyl)phosphoryloxy]-2,3-dibromobut-2-ene |
| MolecularFormula | C8H12O4Br2Cl4P2 |
| Smiles | O=P(CCl)(CCl)OC/C(/Br)=C(/COP(CCl)(CCl)=O)\Br |
| InChI | InChI=1S/C8H12Br2Cl4O4P2/c9-7(1-17-19(15,3-11)4-12)8(10)2-18-20(16,5-13)6-14/h1-6H2 |
| InChIK | NLEFUJUIDXCJPF-UHFFFAOYSA-N |
| TotalMolweight | 535.747 |
| Molweight | 535.747 |
| MonoisotopicMass | 531.733164 |
| CLogP | 5.4278 |
| CLogS | -5 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.46 |
| Relative PSA | 0.18931 |
| PolarSurfaceArea | 72.22 |
| Druglikeness | -27.91 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| StereoCon |
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