SMILES:
COc1ncnc2sc(-c3c(-c4ccccc4)nc(Br)n3C)nc12Molecular Processing
Molecular formula
C16H12BrN5OS
Molecular weight
402.28
Exact mass
400.9946
XLogP
3.92
TPSA
65.72
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
97.1
Supplementary Information
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