名称: 3-(3-amino-phenyl)-isoxazole-5-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(-c2cccc(N)c2)no1Molecular Processing
Molecular formula
C12H12N2O3
Molecular weight
232.24
Exact mass
232.0848
XLogP
2.1
TPSA
78.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
62.31
Supplementary Information
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