 |
HQN : Summary
Code 
|
HQN
|
One-letter code 
|
X
|
Molecule name 
|
benzene-1,2,4-triol
|
Systematic names 
|
|
Formula 
|
C6 H6 O3
|
Formal charge 
|
0
|
Molecular weight 
|
126.11 Da
|
SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
Oc1cc(O)c(O)cc1 |
SMILES
|
CACTVS |
3.370 |
Oc1ccc(O)c(O)c1 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1cc(c(cc1O)O)O |
Canonical SMILES
|
CACTVS |
3.370 |
Oc1ccc(O)c(O)c1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1cc(c(cc1O)O)O |
|
IUPAC InChI  | InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H |
IUPAC InChI key  | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
15 (9 without Hydrogen)
|
Polymer type 
|
Bound ligand
|
Type description 
|
NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
|
Standard parent 
|
Not Assigned
|
Defined at 
|
2010-08-05
|
Last modified at 
|
2011-08-12
|
Status 
|
Released
|
Obsoleted 
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Not Assigned
|
|