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| Ligand Name: p-nitrophenyl guanidinobenzoate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB849 |
PubChem:
30744
|
Synonym(s):
- 4-nitrophenyl 4-guanidinobenzoate
- 21658-26-4
- 4-nitrophenyl 4'-guanidinobenzoate
- (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate
- chembl550687
- nitrophenyl p-guanidinobenzoate
- p-nitrophenyl p-guanidino-benzoate
- p-nitrophenyl-p'-guanidinobenzoate", "p-nitrophenyl-p'-guanidino benzoate
- brn 2819493
- p-guanidinobenzoic acid p-nitrophenyl ester
- schembl237695
- benzoic acid, p-guanidino-, p-nitrophenyl ester
- p-nitrophenyl p-guanidinobenzoate
- bdbm33249
- dtxsid90176041
- zinc5840114
- bdbm50069132
- 4-guanidinobenzoic acid 4-nitrophenyl
- mcule-2035161817
- 4-nitrophenyl 4-carbamimidamidobenzoate, 2
- benzoic acid, 4-((aminoiminomethyl)amino)-, 4-nitrophenyl ester (9ci)
show 20 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL550687 |
| Canonical SMILES: NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O |
| Standard InChI: InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17) |
| Molecular Formula: C14H12N4O4 |
Mol. Weight: 300.08585 |
logP: 2.11937 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 131.34 |