Chemical : (2,3,5,6-Tetrafluoro-1,4-phenylene)bis(triphenylstannane)
Casrn : 61743-10-0 |
MolName : (2,3,5,6-Tetrafluoro-1,4-phenylene)bis(triphenylstannane) |
MolecularFormula : C42H30F4Sn2 |
Smiles : Fc(c([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c(c(F)c1[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)F)c1F |
InChI : InChI=1S/C6F4.6C6H5.2Sn/c7-3-1-4(8)6(10)2-5(3)9;6*1-2-4-6-5-3-1;;/h;6*1-5H;; |
InChIK : ZXKDHKKFHYPFJP-UHFFFAOYSA-N |
CanonicalSyTyLFy : 2e18ac050fbecaef |
TotalMolweight : 848.112 |
Molweight : 848.112 |
MonoisotopicMass : 850.032762 |
CLogP : 9.8076 |
CLogS : -7.94 |
TotalSurfaceArea : 484.22 |
Druglikeness : -6.1775 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : low |
Irritant : low |
Nasty Functions : unwanted atom; polyhalo aromatic |
Shape Index : 0.29167 |
Molecula Flexibility : 0.39769 |
Molecular Complexity : 0.85485 |
Fragments : 1 |
Non HAtoms : 48 |
NonCHAtoms : 6 |
Metal Atoms : 2 |
Electronegative Atoms : 4 |
Rotatable Bond : 8 |
Rings Closures : 7 |
Small Rings : 7 |
Aromatic Rings : 7 |
Aromatic Atoms : 42 |
Symmetricatoms : 40 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
| 100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
| 1000018-51-8 | none | none | none | C10H10N2O2S2 | 254.333 | 1.3137 |
| 10-31-2001 | none | none | none | C21H28NO6P | 421.428 | -10.542 |
| 100005-68-3 | none | none | none | C13H12O4 | 232.234 | -4.9451 |
| 1000018-06-3 | none | none | none | C8H8N3Br | 226.077 | 0.34749 |
| 100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
| 100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
| 100007-54-3 | none | none | none | C28H30O13 | 574.533 | -1.9839 |
| 100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 |
| 100018-96-0 | high | high | none | C20H39O2I | 438.428 | -31.232 |
| 100-76-5 | none | none | high | C7H13N | 111.187 | 3.5517 |
| 100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
| 100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
| 100017-22-9 | high | high | high | C5H8O2 | 100.117 | -8.1063 |
| 1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
| 100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
| 100004-78-2 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
| 1000339-24-1 | none | none | none | C7H4NOF | 137.113 | -7.3916 |
| 1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 |
| 100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 |
| 100010-02-4 | none | none | none | C14H23NO | 221.343 | -6.1109 |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
| 1000198-80-0 | none | none | none | C11H14NF | 179.237 | -0.04876 |
| 1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 |
| 100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
| 1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 |
| 100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
| 100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
| 100008-90-0 | none | none | none | C12H11N3O3 | 245.237 | -1.9187 |
| 100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
| 100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
| 1000018-25-6 | none | none | none | C13H24N2O6S | 336.408 | -32.405 |
| 100004-93-1 | none | high | none | C16H11NO2 | 249.268 | -1.5746 |
| 100004-80-6 | none | none | none | C13H11NO3 | 229.234 | -1.3547 |
| 1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
| 1000303-67-2 | none | none | none | C6H8N2O | 124.143 | 2.717 |
| 100-15-2 | none | high | none | C7H8N2O2 | 152.153 | -5.7806 |
| 100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 |
| 100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 |
| 100007-40-7 | none | none | none | C31H42N4O7 | 582.695 | -0.42167 |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
| 10-18-2004 | none | none | none | C6H8OS2 | 160.261 | -3.1913 |
| 100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
| 100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
| 100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 |
| 100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
| 100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 |
| 100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 |
| 100-62-9 | low | none | none | C7H7N | 105.14 | -1.1924 |
| 1000018-49-4 | none | none | none | C14H19NO5S | 313.373 | 2.5797 |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
| 1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 |
| 100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
| 10003-94-8 | none | none | none | C9H16N2O18P4 | 564.118 | -31.509 |
| 1000296-70-7 | none | none | none | C19H27NO7S3 | 477.621 | 3.1322 |
| 1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |