SMILES:
N#Cc1cc(Br)cs1Molecular Processing
Molecular formula
C5H2BrNS
Molecular weight
188.05
Exact mass
186.9091
XLogP
2.38
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.73
Supplementary Information
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