(Z)-1,3-dichloro-2-[chloro-[(E)-1,3-dichloroprop-1-en-2-yl]oxyphosphoryl]oxyprop-1-ene
Formula:C6H6O3Cl5P
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1,3-dichloro-2-[chloro-[(E)-1,3-dichloroprop-1-en-2-yl]oxyphosphoryl]oxyprop-1-ene is a drug-like molecule.
| MolName | (Z)-1,3-dichloro-2-[chloro-[(E)-1,3-dichloroprop-1-en-2-yl]oxyphosphoryl]oxyprop-1-ene |
| MolecularFormula | C6H6O3Cl5P |
| Smiles | O=P(O/C(/CCl)=C/Cl)(O/C(/CCl)=C\Cl)Cl |
| InChI | InChI=1S/C6H6Cl5O3P/c7-1-5(2-8)13-15(11,12)14-6(3-9)4-10/h1,3H,2,4H2 |
| InChIK | MFHCJCSYHSBGOC-UHFFFAOYSA-N |
| TotalMolweight | 334.35 |
| Molweight | 334.35 |
| MonoisotopicMass | 331.849717 |
| CLogP | 2.8284 |
| CLogS | -3.476 |
| H Acceptors | 3 |
| TotalSurfaceArea | 211.31 |
| Relative PSA | 0.17519 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | -33.644 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I; allyl/benzyl chloride |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
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1 - (Z)-1,3-dichloro-2-[chloro-[(E)-1,3-dichloroprop-1-en-2-yl]oxyphosphoryl]oxyprop-1-ene | 2 - (Z)-1,3-dichloro-2-[chloro-[(E)-1,3-dichloroprop-1-en-2-yl]oxyphosphoryl]oxyprop-1-ene
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