SMILES:
C[C@]12N=C(N)SC[C@H]1CCOc1ccc(Br)cc12Molecular Processing
Molecular formula
C13H15BrN2OS
Molecular weight
327.25
Exact mass
326.0088
XLogP
3.12
TPSA
47.61
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
79.18
Supplementary Information
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