1-chloro-2-[(E)-2-dichlorophosphorylethenoxy]ethane
Formula:C4H6O2Cl3P
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
1-chloro-2-[(E)-2-dichlorophosphorylethenoxy]ethane is a drug-like molecule.
| MolName | 1-chloro-2-[(E)-2-dichlorophosphorylethenoxy]ethane |
| MolecularFormula | C4H6O2Cl3P |
| Smiles | O=P(/C=C/OCCCl)(Cl)Cl |
| InChI | InChI=1S/C4H6Cl3O2P/c5-1-2-9-3-4-10(6,7)8/h3-4H,1-2H2 |
| InChIK | ZAAFSDQODWLMNJ-UHFFFAOYSA-N |
| TotalMolweight | 223.423 |
| Molweight | 223.423 |
| MonoisotopicMass | 221.917098 |
| CLogP | -0.0382 |
| CLogS | -2.988 |
| H Acceptors | 2 |
| TotalSurfaceArea | 147.55 |
| Relative PSA | 0.18312 |
| PolarSurfaceArea | 36.11 |
| Druglikeness | -21.334 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - 1-chloro-2-[(E)-2-dichlorophosphorylethenoxy]ethane | 2 - 1-chloro-2-[(E)-2-dichlorophosphorylethenoxy]ethane
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