CID 163102945
PubChem CID: 163102945
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1840.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Xlogp | -9.3 |
| Molecular Formula | C31H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTTYESLBWSQNTE-UHFFFAOYSA-N |
| Fcsp3 | 0.064516129032258 |
| Logs | -5.532 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.704 |
| Compound Name | CID 163102945 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 412.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 3.581501399999999 |
| Inchi | InChI=1S/C31H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2)31(32)33-3/h1H2,2-3H3 |
| Smiles | CC(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)C(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Davidiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients