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| Ligand Name: 3-bromo-para-coumaric acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1255 |
PubChem:
12416133
|
Synonym(s):
- 3-bromo-4-hydroxycinnamic acid
- 119405-32-2
- (2e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
- (e)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid
- schembl3752581
- schembl6023871
- zinc2504974
- mfcd03002856
- sbb023895
- stk350947
- akos000313723
- ms-8980
- st097476
- (2e)-3-(3-bromo-4-hydroxyphenyl)acrylic acid
show 13 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OC(=O)\C=C\c1ccc(O)c(Br)c1 |
| Standard InChI: InChI=1S/C9H7BrO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+ |
| Molecular Formula: C9H7BrO3 |
Mol. Weight: 241.95786 |
logP: 2.2525 |
| HBD: 2 | HBA: 2 |
| #Rotatable Bonds: 2 | TPSA: 57.53 |