(E)-3-[chloro(phenyl)phosphoryl]prop-2-enoyl chloride
Formula:C9H7O2Cl2P
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-[chloro(phenyl)phosphoryl]prop-2-enoyl chloride is a drug-like molecule.
| MolName | (E)-3-[chloro(phenyl)phosphoryl]prop-2-enoyl chloride |
| MolecularFormula | C9H7O2Cl2P |
| Smiles | O=C(/C=C/P(c1ccccc1)(Cl)=O)Cl |
| InChI | InChI=1S/C9H7Cl2O2P/c10-9(12)6-7-14(11,13)8-4-2-1-3-5-8/h1-7H/t14-/m1/s1 |
| InChIK | LIBHMWUTDCBHIH-CQSZACIVSA-N |
| TotalMolweight | 249.033 |
| Molweight | 249.033 |
| MonoisotopicMass | 247.956071 |
| CLogP | 1.0413 |
| CLogS | -2.907 |
| H Acceptors | 2 |
| TotalSurfaceArea | 172.12 |
| Relative PSA | 0.17465 |
| PolarSurfaceArea | 43.95 |
| Druglikeness | -27.925 |
| Mutagenic | high |
| 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 | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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