이름: (4-Chlorophenyl)(2-fluoro-4-(5-(hydroxymethyl)-3-methylisoxazol-4-yl)pyridin-3-yl)methanone
SMILES:
Cc1noc(CO)c1-c1ccnc(F)c1C(=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C17H12ClFN2O3
Molecular weight
346.75
Exact mass
346.052
XLogP
3.56
TPSA
76.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
85.24
Supplementary Information
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