Toluene
2D Structure
3D Structure
Source:
General | |
Identifier | MM00911 |
SMILES |
Cc1ccccc1
|
InChIKey |
YXFVVABEGXRONW-UHFFFAOYSA-N
|
MW [Da] |
92.14
Automatically obtained from RDkit software. |
LogP |
2
Automatically obtained from RDkit software. |
Links | |
PubChem |
1140
|
DrugBank |
DB11558
|
ChEBI |
17578
|
PDB |
MBN
|
ChEMBL |
CHEMBL9113
|
Similar entries
Benzyl Alcohol
Similarity: 0.5968
Similarity to Benzyl Alcohol
Tanimoto metric | 0.5968 |
---|---|
Cosine metric | 0.7725 |
Dice metric | 0.7475 |
MW: | 108.14 |
||||
---|---|---|---|---|---|
PI: | 6
Total passive interactions
|
LogP: | 1.18 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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Ethylbenzene
Similarity: 0.5873
Similarity to Ethylbenzene
Tanimoto metric | 0.5873 |
---|---|
Cosine metric | 0.7664 |
Dice metric | 0.74 |
MW: | 106.17 |
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---|---|---|---|---|---|
PI: | 6
Total passive interactions
|
LogP: | 2.25 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
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Benzyl Bromide
Similarity: 0.5873
Similarity to Benzyl Bromide
Tanimoto metric | 0.5873 |
---|---|
Cosine metric | 0.7664 |
Dice metric | 0.74 |
MW: | 171.04 |
||||
---|---|---|---|---|---|
PI: | 5
Total passive interactions
|
LogP: | 2.58 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+11 more