SMILES:
CCc1nc2cc(Br)ccc2s1Molecular Processing
Molecular formula
C9H8BrNS
Molecular weight
242.14
Exact mass
240.9561
XLogP
3.62
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
56.7
Supplementary Information
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