SMILES:
Cc1c(C(=O)c2cccnc2)sc2cc(Br)ccc12Molecular Processing
Molecular formula
C15H10BrNOS
Molecular weight
332.22
Exact mass
330.9666
XLogP
4.6
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
81.93
Supplementary Information
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