Guaiazulene
Representations & DB's id
| ||
| ChEBI: | CHEBI:5550 | |
|---|---|---|
| ChEMBL: | CHEMBL1408759 | |
| PubChem: | 3515 | |
| IUPAC: | 1,4-dimethyl-7-propan-2-ylazulene | |
| Standard InChI: | InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3 | |
| Standard InChI Key: | FWKQNCXZGNBPFD-UHFFFAOYSA-N | |
| SMILES: | CC(c1ccc(c2c(c1)c(C)cc2)C)C | |
Molecular propeties
| ||
| AlogP: | 4.53 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 198.14 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 15 | |