11-Phenylundecanoic acid
PubChem CID: 76863
Connections displayed (default: 10).
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| Compound Synonyms | 11-Phenylundecanoic acid, 3343-24-6, Benzeneundecanoic acid, Phenylundecanoic acid, Undecanoic acid, phenyl-, EINECS 222-087-6, 50696-68-9, DTXSID70955058, EINECS 256-718-1, Benzeneundecanoicacid, MFCD00051315, 11-phenyl undecanoic acid, 11-phenyl-undecanoic acid, 11-Phenylundecanoic acid #, SCHEMBL770290, DTXCID301383062, BBL028023, LMFA01140028, LMFA01140065, STL372950, AKOS015949324, AB92465, CS-W001540, s11195, VS-08648, DB-157059, NS00048583, 222-087-6 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-phenylundecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AUQIXRHHSITZFM-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -4.633 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.197 |
| Compound Name | 11-Phenylundecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.571820810526315 |
| Inchi | InChI=1S/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,18,19) |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalaria Procera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cytisus Ciliatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Helipterum Propinquum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Mannia Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Mesua Beccariana (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Parthenium Bipinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pittosporum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients