(1Z)-2-chloro-1-dichlorophosphorylbuta-1,3-diene
Formula:C4H4OCl3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-chloro-1-dichlorophosphorylbuta-1,3-diene is a drug-like molecule.
| MolName | (1Z)-2-chloro-1-dichlorophosphorylbuta-1,3-diene |
| MolecularFormula | C4H4OCl3P |
| Smiles | C=C/C(/Cl)=C/P(Cl)(Cl)=O |
| InChI | InChI=1S/C4H4Cl3OP/c1-2-4(5)3-9(6,7)8/h2-3H,1H2 |
| InChIK | VQKLNMVCBTXIKA-UHFFFAOYSA-N |
| TotalMolweight | 205.408 |
| Molweight | 205.408 |
| MonoisotopicMass | 203.906533 |
| CLogP | 1.0041 |
| CLogS | -3.384 |
| H Acceptors | 1 |
| TotalSurfaceArea | 132.78 |
| Relative PSA | 0.12818 |
| PolarSurfaceArea | 26.88 |
| Druglikeness | -23.049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-halogenide type; Cl,Br,I on N,O,P,S,Se,I; allyl/benzyl chloride |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (1Z)-2-chloro-1-dichlorophosphorylbuta-1,3-diene | 2 - (1Z)-2-chloro-1-dichlorophosphorylbuta-1,3-diene
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