[(E)-2-dichlorophosphorylethenyl]benzene
Formula:C8H7OCl2P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-dichlorophosphorylethenyl]benzene is a drug-like molecule.
| MolName | [(E)-2-dichlorophosphorylethenyl]benzene |
| MolecularFormula | C8H7OCl2P |
| Smiles | O=P(/C=C/c1ccccc1)(Cl)Cl |
| InChI | InChI=1S/C8H7Cl2OP/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H |
| InChIK | JZCWUZUUPGUVRB-UHFFFAOYSA-N |
| TotalMolweight | 221.023 |
| Molweight | 221.023 |
| MonoisotopicMass | 219.961156 |
| CLogP | 1.39 |
| CLogS | -3.712 |
| H Acceptors | 1 |
| TotalSurfaceArea | 154.37 |
| Relative PSA | 0.11025 |
| PolarSurfaceArea | 26.88 |
| Druglikeness | -20.808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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