Benzyl Bromide
General | |
Identifier | MM00840 |
SMILES |
BrCc1ccccc1
|
InChIKey |
AGEZXYOZHKGVCM-UHFFFAOYSA-N
|
MW [Da] |
171.04
Automatically obtained from RDkit software. |
LogP |
2.58
Automatically obtained from RDkit software. |
Links | |
PubChem |
7498
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Tanimoto metric | 0.5873 |
---|---|
Cosine metric | 0.7664 |
Dice metric | 0.74 |
MW: | 92.14 |
||||
---|---|---|---|---|---|
PI: | 5
Total passive interactions
|
LogP: | 2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
Tanimoto metric | 0.4318 |
---|---|
Cosine metric | 0.6032 |
Dice metric | 0.6032 |
MW: | 106.17 |
||||
---|---|---|---|---|---|
PI: | 6
Total passive interactions
|
LogP: | 2.25 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
Tanimoto metric | 0.4205 |
---|---|
Cosine metric | 0.592 |
Dice metric | 0.592 |
MW: | 108.14 |
||||
---|---|---|---|---|---|
PI: | 6
Total passive interactions
|
LogP: | 1.18 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|