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Alpha-Hydroxy-p-Toluic Acid

2D Structure
3D Structure
Source:
General
Identifier MM00624
SMILES O=C(O)c1ccc(CO)cc1
InChIKey WWYFPDXEIFBNKE-UHFFFAOYSA-N
MW [Da] 152.15

Automatically obtained from RDkit software.
LogP 0.88

Automatically obtained from RDkit software.
Links

PubChem

 76360

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
4-Methylbenzoic Acid
Similarity: 0.969
Similarity to 4-Methylbenzoic Acid
Tanimoto metric 0.969
Cosine metric 0.9844
Dice metric 0.9843
MW:
136.15
PI:
6
Total passive interactions
Alpha-Hydroxy-p-Toluic Acid
 4
4-Methylbenzoic Acid
 6
LogP:
1.69
AI:
0
Total active interactions
Alpha-Hydroxy-p-Toluic Acid
 0
4-Methylbenzoic Acid
 0
Alpha-Methoxy-p-Toluic Acid
Similarity: 0.8658
Similarity to Alpha-Methoxy-p-Toluic Acid
Tanimoto metric 0.8658
Cosine metric 0.9305
Dice metric 0.9281
MW:
166.18
PI:
4
Total passive interactions
Alpha-Hydroxy-p-Toluic Acid
 4
Alpha-Methoxy-p-Toluic Acid
 4
LogP:
1.53
AI:
0
Total active interactions
Alpha-Hydroxy-p-Toluic Acid
 0
Alpha-Methoxy-p-Toluic Acid
 0
Benzoic Acid
Similarity: 0.8062
Similarity to Benzoic Acid
Tanimoto metric 0.8062
Cosine metric 0.8979
Dice metric 0.8927
MW:
122.12
PI:
16
Total passive interactions
Alpha-Hydroxy-p-Toluic Acid
 4
Benzoic Acid
 16
LogP:
1.38
AI:
0
Total active interactions
Alpha-Hydroxy-p-Toluic Acid
 0
Benzoic Acid
 0
+39 more

No data

Methods

Computed
Q-based
QSAR
Experimental
Permeability

No data

No transporter data found.