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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(4E)-5,9-dimethyl-N-(2-phenylaziridin-1-yl)-1-(3-phenyloxiran-2-yl)deca-4,8-dien-1-imine , (4E)-5,9-dimethyl-N-(2-phenyl-1-aziridinyl)-1-(3-phenyl-2-oxiranyl)-1-deca-4,8-dienimine , [(4E)-5,9-dimethyl-1-(3-phenyloxiran-2-yl)deca-4,8-dienylidene]-(2-phenylethylenimin-1-yl)amine
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| Smiles: |
C/C(=C\CC/C(=N\N1C[C@H]1c1ccccc1)/[C@H]1O[C@@H]1c1ccccc1)/CCC=C(C)C
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| InChi : |
InChI=1S/C28H34N2O/c1-21(2)12-10-13-22(3)14-11-19-25(28-27(31-28)24-17-8-5-9-18-24)29-30-20-26(30)23-15-6-4-7-16-23/h4-9,12,14-18,26-28H,10-11,13,19-20H2,1-3H3/b22-14+,29-25+/t26-,27+,28+,30+/m0/s1
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| InChi Key : |
InChIKey=KJXKKLULKXRYNU-NXYSGFGTSA-N
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| PubChem ID : |
5362950
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| Rotatable bond count : |
10
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
3
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Ionization potential : |
9.034539
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
2.411
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| XLogP : |
5.635
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VDW volume : |
428.673812
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| Molecular weight : |
414.267114
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HOMO-LUMO gap : |
9.098000
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| Herb list : |
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| Refrences & Litretures: |
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