Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationNitrobenzene
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00136 |
| SMILES |
O=[N+]([O-])c1ccccc1
|
| InChIKey |
LQNUZADURLCDLV-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
1.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
7416
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
4-Nitroaniline
Similarity: 0.8281
Similarity to 4-Nitroaniline
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3-Nitroaniline
Similarity: 0.6839
Similarity to 3-Nitroaniline
| Tanimoto metric | 0.6839 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8123 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
P-Nitrophenol
Similarity: 0.6795
Similarity to P-Nitrophenol
| Tanimoto metric | 0.6795 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8092 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 11
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
+16 more
