CID 10712843
PubChem CID: 10712843
Connections displayed (default: 10).
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| Topological Polar Surface Area | 72.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 628.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C20H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXIXIHJLRHFDIK-SMBUSNGSSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.186 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.253 |
| Compound Name | CID 10712843 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7264210000000006 |
| Inchi | InChI=1S/C20H30O5/c1-12-14(22)15(23)16-17(2,3)6-5-7-18(16,4)20(12)9-8-19(25-20)10-13(21)24-11-19/h12,14,16,22H,5-11H2,1-4H3/t12-,14-,16+,18+,19-,20-/m1/s1 |
| Smiles | C[C@@H]1[C@H](C(=O)[C@@H]2[C@@]([C@@]13CC[C@@]4(O3)CC(=O)OC4)(CCCC2(C)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leonurus Persicus (Plant) Rel Props:Source_db:cmaup_ingredients