SMILES:
Br.CCc1csc(CCN)n1Molecular Processing
Molecular formula
C7H13BrN2S
Molecular weight
237.17
Exact mass
235.9983
XLogP
1.78
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.571
Molar refractivity
54.57
Supplementary Information
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