Z,Z,Z-1,4,6,9-Nonadecatetraene
PubChem CID: 5362676
Connections displayed (default: 10).
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| Compound Synonyms | Z,Z,Z-1,4,6,9-Nonadecatetraene, DTXSID601016311, 959037-96-8, (4Z,6Z,9Z)-nonadeca-1,4,6,9-tetraene, DTXCID601474474, (4Z,6Z,9Z)-1,4,6,9-Nonadecatetraene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 255.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z,6Z,9Z)-nonadeca-1,4,6,9-tetraene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 8.2 |
| Is Pains | False |
| Molecular Formula | C19H32 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUMHNRJFLJGRNU-FVRZMWRVSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -4.705 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.633 |
| Compound Name | Z,Z,Z-1,4,6,9-Nonadecatetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.25 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 260.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 260.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.750282999999998 |
| Inchi | InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,7,9,11,13,17,19H,1,4-6,8,10,12,14-16,18H2,2H3/b9-7-,13-11-,19-17- |
| Smiles | CCCCCCCCC/C=C\C/C=C\C=C/CC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
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FOUND_INto/from Aristolochia Reticulata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Citrus Acida (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference: - 6. Outgoing r'ship
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FOUND_INto/from Citrus Decumana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Citrus Erythrosa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
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FOUND_INto/from Citrus Hassaku (Plant) Rel Props:Reference: - 14. Outgoing r'ship
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FOUND_INto/from Citrus Reshni (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all; Reference: - 34. Outgoing r'ship
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