الاسم: Ethyl 4-cyano-7-hydroxy-3-(4-methoxyphenyl)isoxazolo[4,5-c]pyridine-6-carboxylate
SMILES:
CCOC(=O)c1nc(C#N)c2c(-c3ccc(OC)cc3)noc2c1OMolecular Processing
Molecular formula
C17H13N3O5
Molecular weight
339.31
Exact mass
339.0855
XLogP
2.65
TPSA
118.47
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
86.13
Supplementary Information
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