이름: 3-(4-methylthiophenyl)-5-(trifluoromethyl)(2-pyridyl) phenyl ketone
SMILES:
CSc1ccc(-c2cc(C(F)(F)F)cnc2C(=O)c2ccccc2)cc1Molecular Processing
Molecular formula
C20H14F3NOS
Molecular weight
373.4
Exact mass
373.0748
XLogP
5.72
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
96.33
Supplementary Information
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