SMILES:
Cc1cc(S)n2c(C#N)cc(-c3c(C)cc(Br)cc3C)c2n1Molecular Processing
Molecular formula
C17H14BrN3S
Molecular weight
372.29
Exact mass
371.0092
XLogP
4.85
TPSA
41.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
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
0.176
Molar refractivity
94.51
Supplementary Information
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