SMILES:
BrCc1nsc2ncccc12Molecular Processing
Molecular formula
C7H5BrN2S
Molecular weight
229.1
Exact mass
227.9357
XLogP
2.59
TPSA
25.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
50.05
Supplementary Information
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