2-Deuteriotridec-1-ene
PubChem CID: 10821329
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 94.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-deuteriotridec-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 7.3 |
| Molecular Formula | C13H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQOXUMQBYILCKR-WFVSFCRTSA-N |
| Fcsp3 | 0.8461538461538461 |
| Logs | -6.269 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.118 |
| Compound Name | 2-Deuteriotridec-1-ene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.21 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 183.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9284140310236 |
| Inchi | InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3/i3D |
| Smiles | [2H]C(=C)CCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients