10Z,12Z-octadecadienoic acid
PubChem CID: 5282799
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| Compound Synonyms | 10Z,12Z-octadecadienoic acid, dihomolinoleic acid, (10Z,12Z)-octadeca-10,12-dienoic acid, cis-10, cis-12-octadecadienoic acid, 7307-45-1, C18:2n-6,8, Dihomolinoleate (20:2n6), SCHEMBL2572815, CHEMBL5308384, Dihomolinoleic acid (20:2n6), CHEBI:83063, Dihomo-linoleic acid (20:2N6), DTXSID801296068, 10-cis-12-cis-Octadecadienoic acid, cis-10,cis-12-octadecadienoic acid, LMFA01030124, 20:2n6, FA(20:2(10Z,12Z)), Q27156610 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (10Z,12Z)-octadeca-10,12-dienoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Is Pains | False |
| Molecular Formula | C18H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKJZMAHZJGSBKD-JPDBVBESSA-N |
| Fcsp3 | 0.7222222222222222 |
| Rotatable Bond Count | 14.0 |
| Compound Name | 10Z,12Z-octadecadienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.096302399999998 |
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8- |
| Smiles | CCCCC/C=C\C=C/CCCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nigella Sativa (Plant) Rel Props:Source_db:cmaup_ingredients