SMILES:
COC(=S)c1cc(-c2cccc(Br)n2)c(C)s1Molecular Processing
Molecular formula
C12H10BrNOS2
Molecular weight
328.26
Exact mass
326.9387
XLogP
4.2
TPSA
22.12
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
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
0.167
Molar refractivity
78.7
Supplementary Information
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