CID 163022555
PubChem CID: 163022555
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C11H10O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DOCWUDHOAPAYAN-PHUNFMHTSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -5.118 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.21 |
| Compound Name | CID 163022555 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 190.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 190.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8686275999999999 |
| Inchi | InChI=1S/C11H10O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h1,5,7,10,12H,8-9H2,(H,13,14)/t6?,10-/m1/s1 |
| Smiles | C#CC#CC=C=C[C@H](CCC(=O)O)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Knoxia Valerianoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Source_db:cmaup_ingredients