SMILES:
Cc1cc(C#N)sc1BrMolecular Processing
Molecular formula
C6H4BrNS
Molecular weight
202.08
Exact mass
200.9248
XLogP
2.69
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
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
0.167
Molar refractivity
41.47
Supplementary Information
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