HIT ID: HIT212717660
Cas No: 3690-87-7
分子式: C29H28ClN7O2
分子量: 542.04
常用名: Phenanthridinium, 8-amino-6-(4-(3-(4-(aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-5-methyl-, chloride, acetate
常用名: Phenanthridinium, 8-amino-6-(4-(3-(4-(aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-5-methyl-, chloride, acetate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 0.428098
IUPAC: 8-amino-6-{4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]phenyl}-5-methylphenanthridin-5-ium acetic acid chloride
IUPAC: 8-amino-6-{4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]phenyl}-5-methylphenanthridin-5-ium acetic acid chloride
SMILES: [Cl-].CC(O)=O.C[n+]1c(-c2ccc(cc2)\N=N\Nc2ccc(cc2)C(N)=N)c2cc(N)ccc2c2ccccc12
SMILES: [Cl-].CC(O)=O.C[n+]1c(-c2ccc(cc2)\N=N\Nc2ccc(cc2)C(N)=N)c2cc(N)ccc2c2ccccc12
InChI key: FXWFNWSQNIRYFK-UHFFFAOYSA-N
