SMILES:
Cl.Clc1ccc(CSc2ccc(Cl)cc2C2=NCCN2)c(Cl)c1Molecular Processing
Molecular formula
C16H14Cl4N2S
Molecular weight
408.18
Exact mass
405.9632
XLogP
5.71
TPSA
24.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.188
Molar refractivity
104.13
Supplementary Information
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