الاسم: Ethyl 3-(5-bromofuran-2-yl)-4-cyano-7-hydroxyisoxazolo[4,5-c]pyridine-6-carboxylate
SMILES:
CCOC(=O)c1nc(C#N)c2c(-c3ccc(Br)o3)noc2c1OMolecular Processing
Molecular formula
C14H8BrN3O5
Molecular weight
378.14
Exact mass
376.9647
XLogP
3
TPSA
122.38
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
23
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
0.143
Molar refractivity
79.54
Supplementary Information
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