(111C)heptadecanoic acid
PubChem CID: 11161537
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (111C)heptadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C17H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KEMQGTRYUADPNZ-SJPDSGJFSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -5.591 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.337 |
| Compound Name | (111C)heptadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.267 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.267 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 269.45 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.365336088319999 |
| Inchi | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i17-1 |
| Smiles | CCCCCCCCCCCCCCCC[11C](=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients