|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
3
Total Number of Articles : 3
|
| PubChem |
99679
|
| Molecular Formula |
C8H5N3O3 |
| SMILES |
C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-] |
| InChI |
InChI=1S/C8H5N3O3/c9-5-10-11(14)7-3-1-6(2-4-7)8(12)13/h1-4H,(H,12,13) |
| synonyms |
- Calvatic acid
- 54723-08-9
- (4-carboxyphenyl)-cyanoimino-oxidoazanium
- Benzoic acid, 4-(cyano-NNO-azoxy)-
- 4-carboxy-N-(cyanoimino)benzen-1-imine oxide
- p-Carboxyphenylazoxycyanide
- CHEMBL131824
- SCHEMBL28678019
- CHEBI:220412
- LDRFVNKBORCKQS-UHFFFAOYSA-N
- ECA72308
- NSC264713
- AKOS006276191
- AKOS040734763
- NSC-264713
- NCI60_002121
- 4-carboxy-N-(cyanoimino)benzen-1-imineoxide
- EN300-300167
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|
| Properties |
| Property |
Value |
| MW |
191.14 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
2 |
| Exact Mass |
191.03309103 g/mol |
| Monoisotopic Mass |
191.03309103 g/mol |
| Heavy Atom Count |
14 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
296 |
| xlogp |
1.3 |
| Topological Polar Surface Area |
102 |
|