SMILES:
Clc1ccc(-c2cc(CBr)no2)s1Molecular Processing
Molecular formula
C8H5BrClNOS
Molecular weight
278.56
Exact mass
276.8964
XLogP
3.95
TPSA
26.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57.46
Supplementary Information
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