tris(4-chlorophenyl) phosphite
Formula:C18H12O3Cl3P
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
tris(4-chlorophenyl) phosphite is not a drug-like molecule.
| MolName | tris(4-chlorophenyl) phosphite |
| MolecularFormula | C18H12O3Cl3P |
| Smiles | Clc(cc1)ccc1OP(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12Cl3O3P/c19-13-1-7-16(8-2-13)22-25(23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H |
| InChIK | AMGMFFUMIJRDGW-UHFFFAOYSA-N |
| TotalMolweight | 413.623 |
| Molweight | 413.623 |
| MonoisotopicMass | 411.958963 |
| CLogP | 7.2702 |
| CLogS | -8.072 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.79 |
| Relative PSA | 0.10878 |
| PolarSurfaceArea | 41.28 |
| Druglikeness | -14.7 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 18 |
| StereoCon |
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