SMILES:
O=c1c2c(Cl)cccc2nc(CSc2ncnc3[nH]cnc23)n1-c1ccccc1FMolecular Processing
Molecular formula
C20H12ClFN6OS
Molecular weight
438.88
Exact mass
438.0466
XLogP
4.14
TPSA
89.35
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
113.55
Supplementary Information
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