Phenylnonanoic acid
PubChem CID: 19609332
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| Compound Synonyms | phenylnonanoic acid, SCHEMBL2550077, COYMEIBAQDZJCT-UHFFFAOYSA-N, AKOS014766364 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylnonanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | COYMEIBAQDZJCT-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.06 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.04 |
| Compound Name | Phenylnonanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.188678270588235 |
| Inchi | InChI=1S/C15H22O2/c1-2-3-4-5-9-12-14(15(16)17)13-10-7-6-8-11-13/h6-8,10-11,14H,2-5,9,12H2,1H3,(H,16,17) |
| Smiles | CCCCCCCC(C1=CC=CC=C1)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Changium Smyrnioides (Plant) Rel Props:Source_db:cmaup_ingredients