General Information of the Compound
| Compound ID |
CP0944361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((2,4-dichlorophenoxy)methyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9Cl2NO
|
||||||||||||||||||
| Molecular Weight |
278.138
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cccc(COc2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9Cl2NO/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7H,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXLZDCSGCZRFTL-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