MDL | MFCD12911909 |
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InChIKey | GITFHTZGVMIBGS-UHFFFAOYSA-M |
Inchi | 1S/C29H45P.C8H10N.ClH.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;9-7-6-8-4-2-1-3-5-8;;/h13-21H,1-12H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1 |
SMILES | [Pd+]Cl.P(C1=C([H])C([H])=C([H])C([H])=C1C1C(=C([H])C(C([H])(C([H])([H])[H])C([H])([H])[H])=C([H])C=1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H].N([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=[C-]1 |
熔点 | 150-159 °C |
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氢键供体数量 | 1 |
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氢键受体数量 | 2 |
可旋转化学键数量 | 9 |
重原子数量 | 41 |
复杂度 | 658 |
拓扑分子极性表面积 | 26 |
PubChemId | 329762821 |
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