HIT ID: HIT212712837
Cas No: 107019-95-4
分子式: C11H12BrN5O
分子量: 310.155
常用名: Hymenidin
氢键受体数 (HBA): 3
氢键供体数 (HBD): 4
LogP: 0.807444
IUPAC: N-[(2E)-3-(2-amino-1H-imidazol-5-yl)prop-2-en-1-yl]-4-bromo-1H-pyrrole-2-carboxamide
IUPAC: N-[(2E)-3-(2-amino-1H-imidazol-5-yl)prop-2-en-1-yl]-4-bromo-1H-pyrrole-2-carboxamide
SMILES: Nc1ncc(\C=C\CNC(=O)c2cc(Br)c[nH]2)[nH]1
SMILES: Nc1ncc(\C=C\CNC(=O)c2cc(Br)c[nH]2)[nH]1
InChI key: KHJREOQCERRAME-OWOJBTEDSA-N