SMILES:
COc1ccc(Br)cc1SCc1ccccc1C#NMolecular Processing
Molecular formula
C15H12BrNOS
Molecular weight
334.24
Exact mass
332.9823
XLogP
4.62
TPSA
33.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
81.41
Supplementary Information
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