SMILES:
CC(C)(C)OC(=O)Nc1cn2cc(Br)sc2n1Molecular Processing
Molecular formula
C10H12BrN3O2S
Molecular weight
318.2
Exact mass
316.9834
XLogP
3.51
TPSA
55.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
70.63
Supplementary Information
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