CID 23616479
PubChem CID: 23616479
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL2154370, A802047 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.1 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentanoic acid |
| Prediction Hob | 1.0 |
| Molecular Formula | C10H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HUPQYPMULVBQDL-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.623 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.978 |
| Compound Name | CID 23616479 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 204.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.26 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2539492 |
| Inchi | InChI=1S/2C5H10O2/c2*1-2-3-4-5(6)7/h2*2-4H2,1H3,(H,6,7) |
| Smiles | CCCCC(=O)O.CCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all