الاسم: Ethyl 3-(5-bromofuran-2-yl)-7-hydroxy-4-iodoisoxazolo[4,5-c]pyridine-6-carboxylate
SMILES:
CCOC(=O)c1nc(I)c2c(-c3ccc(Br)o3)noc2c1OMolecular Processing
Molecular formula
C13H8BrIN2O5
Molecular weight
479.02
Exact mass
477.8661
XLogP
3.73
TPSA
98.59
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
87.54
Supplementary Information
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