12-Phenyllauric acid
PubChem CID: 151922
Connections displayed (default: 10).
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| Compound Synonyms | 12-Phenyldodecanoic acid, 14507-27-8, Benzenedodecanoic acid, 12-Phenyllauric acid, 12-Phenyl-dodecanoic acid, omega-Phenyldodecanoic acid, 12-phenyl dodecanoic acid, MLS001048967, DTXSID20162876, NSC665969, SMR000386988, 12-phenyldodecanoicacid, MFCD00582460, cid_151922, SCHEMBL1008042, CHEMBL1567811, DTXCID6085367, BDBM93584, IXEHFJJSVBVZHI-UHFFFAOYSA-N, HMS2269P24, LMFA01140066, STL443585, AKOS003635985, AB92472, CS-W001442, NSC-665969, s12076, NCGC00246240-01, AS-58269, SY103951 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10636, P02791, O97447, P00811, Q9HBX9, Q92830, Q96KQ7, Q9UIF8, Q13951, P08659, Q96LD8, Q8WZA2, P53350 |
| Iupac Name | 12-phenyldodecanoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT51, NPT2944 |
| Xlogp | 6.3 |
| Molecular Formula | C18H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXEHFJJSVBVZHI-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -4.965 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.276 |
| Compound Name | 12-Phenyllauric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.927604 |
| Inchi | InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20) |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Spicatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cephalaria Procera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cytisus Ciliatus (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Diospyros Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Domohinea Perrieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Helipterum Propinquum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Mannia Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Mesua Beccariana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Parthenium Bipinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Pittosporum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all