Name: 5-(4-chlorophenyl)-4-(pyridin-4-yl)isoxazole
SMILES:
Clc1ccc(-c2oncc2-c2ccncc2)cc1Molecular Processing
Molecular formula
C14H9ClN2O
Molecular weight
256.69
Exact mass
256.0403
XLogP
4.06
TPSA
38.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
70.18
Supplementary Information
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