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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
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| Smiles: |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
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| InChi : |
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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| InChi Key : |
InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-N
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| PubChem ID : |
445580
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| Rotatable bond count : |
14
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Rule of five : |
2
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.572481
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| Hydrogen bond donor count : |
1
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Electric dipole moment : |
1.819
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| XLogP : |
8.833
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VDW volume : |
388.193363
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| Molecular weight : |
328.24023
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HOMO-LUMO gap : |
10.347000
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| Herb list : |
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| Refrences & Litretures: |
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