SMILES:
Cc1nnc(Br)s1Molecular Processing
Molecular formula
C3H3BrN2S
Molecular weight
179.04
Exact mass
177.92
XLogP
1.61
TPSA
25.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
32.35
Supplementary Information
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