Cc1sc(Br)cc1CCC#N
SMILES: Cc1sc(Br)cc1CCC#N

Molecular Processing

Molecular formula
C8H8BrNS
Molecular weight
230.13
Exact mass
228.9561
XLogP
3.28
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
0.375
Molar refractivity
50.69

Supplementary Information

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