| Phytochemical Name : Azulene |
| PCNDIDA0247 |
| Pubchem CID : 9231 |
| Molecular formula: C10H8 |
| Canonical SMILES : C1=CC=C2C=CC=C2C=C1 |
Synonymes : azulene|275-51-4|Cyclopentacycloheptene|Azunamic|Bicyclo[5.3.0]decapentaene|azulen|Bicyclo(5.3.0)decapentaene|EINECS 205-993-6|Bicyclo(5.3.0)-1,3,5,7,9-decapentaene|Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene|NSC 89248|UNII-82R6M9MGLP|82R6M9MGLP|CHEBI:31249|Azulene (JAN)|NSC-89248|AZULENE [JAN]|MFCD00003810|Azulekeep|Azulene, 99%|AZULENE [INCI]|AZULENE [MI]|AZULENE [MART.]|AZULENE [WHO-DD]|bicyclo(5.3.0)-deca-1,3,5,7,9-pentaene|Azulene, analytical standard|Azusalen [as sodium sulfonate]|CHEMBL3272628|DTXSID2059770|HY-B0055|NSC89248|AKOS015840881|CS-15638|LS-23565|Bicyclo[5.3.0]-1,5,7,9-decapentaene|A0634|Bicyclo(0.3.5)deca-1,3,5,7,9-pentaene|CS-0006517|FT-0622537|Azulene, standard for GC, >=99.0% (GC)|bicyclo[5.3.0]deca-2,4,6,8,10-pentaene|C13408|D09768|A819116|Q144362|SR-01000944574|J-016811|SR-01000944574-1|BICYCLO-(0.3.5)-DECA-1,3,5,7,9-PENTAENE|BICYCLO-(5.3.0)-DECA-2,4,6,8,10-PENTAENE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.170 |
| Log Po/w (XLOGP3) : 3.200 |
| Log Po/w (WLOGP) : 2.790 |
| Log Po/w (MLOGP) : 3.910 |
| Log Po/w (SILICOS-IT) : 3.110 |
| Consensus Log Po/w : 3.040 |