tris(2,4-dichlorophenyl) phosphite
Formula:C18H9O3Cl6P
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
tris(2,4-dichlorophenyl) phosphite is not a drug-like molecule.
| MolName | tris(2,4-dichlorophenyl) phosphite |
| MolecularFormula | C18H9O3Cl6P |
| Smiles | Clc(cc1)cc(Cl)c1OP(Oc(ccc(Cl)c1)c1Cl)Oc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H9Cl6O3P/c19-10-1-4-16(13(22)7-10)25-28(26-17-5-2-11(20)8-14(17)23)27-18-6-3-12(21)9-15(18)24/h1-9H |
| InChIK | JSDQLOKBIKEVKN-UHFFFAOYSA-N |
| TotalMolweight | 516.958 |
| Molweight | 516.958 |
| MonoisotopicMass | 513.842044 |
| CLogP | 9.0882 |
| CLogS | -10.28 |
| H Acceptors | 3 |
| TotalSurfaceArea | 322.05 |
| Relative PSA | 0.093153 |
| PolarSurfaceArea | 41.28 |
| Druglikeness | -14.7 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 18 |
| StereoCon |
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