SMILES:
Nc1nc2ccc(C(=C(Cl)Cl)c3ccccc3)cc2n1N1C=CC=CS1Molecular Processing
Molecular formula
C19H14Cl2N4S
Molecular weight
401.32
Exact mass
400.0316
XLogP
5.44
TPSA
47.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
112.4
Supplementary Information
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