SMILES:
CSCc1cccc2c(C(CCC#N)c3ccc4c(c3)OC(F)(F)O4)c[nH]c12Molecular Processing
Molecular formula
C21H18F2N2O2S
Molecular weight
400.45
Exact mass
400.1057
XLogP
5.79
TPSA
58.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
104.85
Supplementary Information
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