SMILES:
Clc1ncc(CBr)s1Molecular Processing
Molecular formula
C4H3BrClNS
Molecular weight
212.5
Exact mass
210.8858
XLogP
2.69
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
39.76
Supplementary Information
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