General Information of the Compound
| Compound ID |
CP0438166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-hex-5-ynoxybenzaldehyde
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H14O2
|
||||||||||||||||||
| Molecular Weight |
202.253
|
||||||||||||||||||
| Canonical SMILES |
O=Cc1ccc(OCCCCC#C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H14O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h1,6-9,11H,3-5,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AALDCRHDWQVCIG-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound