SMILES:
O=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncn[nH]1Molecular Processing
Molecular formula
C16H13BrN6O2S
Molecular weight
433.29
Exact mass
432.0004
XLogP
2.61
TPSA
103.87
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
100.94
Supplementary Information
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