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1,2,4-Benzenetriol

2D Structure
3D Structure
Source:
General
Identifier MM00992
SMILES Oc1ccc(O)c(O)c1
InChIKey GGNQRNBDZQJCCN-UHFFFAOYSA-N
MW [Da] 126.11

Automatically obtained from RDkit software.
LogP 0.8

Automatically obtained from RDkit software.
Links

PubChem

 10787

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Benzene-1,2,3-triol
Similarity: 0.7841
Similarity to Benzene-1,2,3-triol
Tanimoto metric 0.7841
Cosine metric 0.8794
Dice metric 0.879
MW:
126.11
PI:
5
Total passive interactions
1,2,4-Benzenetriol
 5
Benzene-1,2,3-triol
 5
LogP:
0.8
AI:
0
Total active interactions
1,2,4-Benzenetriol
 0
Benzene-1,2,3-triol
 0
Catechol
Similarity: 0.7037
Similarity to Catechol
Tanimoto metric 0.7037
Cosine metric 0.8389
Dice metric 0.8261
MW:
110.11
PI:
4
Total passive interactions
1,2,4-Benzenetriol
 5
Catechol
 4
LogP:
1.1
AI:
0
Total active interactions
1,2,4-Benzenetriol
 0
Catechol
 0
Benzene-1,3,5-triol
Similarity: 0.6914
Similarity to Benzene-1,3,5-triol
Tanimoto metric 0.6914
Cosine metric 0.8315
Dice metric 0.8175
MW:
126.11
PI:
4
Total passive interactions
1,2,4-Benzenetriol
 5
Benzene-1,3,5-triol
 4
LogP:
0.8
AI:
0
Total active interactions
1,2,4-Benzenetriol
 0
Benzene-1,3,5-triol
 0
+16 more

No data

Methods

Computed
Q-based
QSAR

No data

No transporter data found.