|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
methyl (5Z)-icosa-5,11,14,17-tetraenoate , (5Z)-eicosa-5,11,14,17-tetraenoic acid methyl ester , methyl (5Z)-icosa-5,11,14,17-tetraenoate
|
| Smiles: |
CCC=CCC=CCC=CCCCC/C=C\CCCC(=O)OC
|
| InChi : |
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,16-17H,3,6,9,12-15,18-20H2,1-2H3/b5-4?,8-7?,11-10?,17-16-
|
| InChi Key : |
InChIKey=RACNRUFXUGWSBR-ZYFLPHEQSA-N
|
| PubChem ID : |
129864143
|
|
|
|
| Rotatable bond count : |
15
|
Rule of five : |
2
|
| Hydrogen bond acceptor count : |
2
|
Ionization potential : |
9.470953
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
1.586
|
| XLogP : |
8.481
|
VDW volume : |
376.170296
|
| Molecular weight : |
318.25588
|
HOMO-LUMO gap : |
10.541000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|