SMILES:
N#Cc1nc2ccc(OCc3cccc(CBr)c3)cc2s1Molecular Processing
Molecular formula
C16H11BrN2OS
Molecular weight
359.25
Exact mass
357.9775
XLogP
4.64
TPSA
45.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
3
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
87.74
Supplementary Information
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