CID 102090429
PubChem CID: 102090429
Connections displayed (default: 10).
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| Topological Polar Surface Area | 44.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 626.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H34O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FWXSOZHEZZNUHJ-OZHOZXLLSA-N |
| Fcsp3 | 0.8636363636363636 |
| Logs | -4.934 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.0 |
| Compound Name | CID 102090429 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 362.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8598620000000015 |
| Inchi | InChI=1S/C22H34O4/c1-15-13-17(25-16(2)23)18-19(3,4)7-6-8-20(18,5)22(15)10-9-21(26-22)11-12-24-14-21/h11-12,15,17-18H,6-10,13-14H2,1-5H3/t15-,17-,18+,20+,21-,22-/m1/s1 |
| Smiles | C[C@@H]1C[C@H]([C@@H]2[C@@]([C@@]13CC[C@]4(O3)COC=C4)(CCCC2(C)C)C)OC(=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients