SMILES:
Cc1c2cc(-n3ccc(OCc4ccc(Br)s4)cc3=O)ccc2nn1CMolecular Processing
Molecular formula
C19H16BrN3O2S
Molecular weight
430.33
Exact mass
429.0147
XLogP
4.44
TPSA
49.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
107.4
Supplementary Information
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