(4aS,7R)-4a-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID: 15726782
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| Compound Synonyms | CHEMBL2271429 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | HCGLSNXCQRJVMY-RISCZKNCSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | (4aS,7R)-4a-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aS,7R)-4a-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.3151414 |
| Inchi | InChI=1S/C14H18O/c1-10(2)11-4-6-14(3)7-5-13(15)9-12(14)8-11/h5,7,9,11H,1,4,6,8H2,2-3H3/t11-,14+/m1/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@]2(C=CC(=O)C=C2C1)C |
| Xlogp | 3.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C14H18O |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients