General Information of the Compound
| Compound ID |
CP0579290
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-(3-chloro-4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H7ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
277.633
|
||||||||||||||||||
| Canonical SMILES |
OCc1cn(nn1)-c1ccc(c(Cl)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H7ClF3N3O/c11-9-3-7(1-2-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMNGWKCEPYOOFD-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 | |||||||||||||||||||
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