SMILES:
O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2F)cn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C20H14ClFN4O2S
Molecular weight
428.88
Exact mass
428.051
XLogP
3.81
TPSA
68.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
109.62
Supplementary Information
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