SMILES:
O=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncco1Molecular Processing
Molecular formula
C17H13BrN4O3S
Molecular weight
433.29
Exact mass
431.9892
XLogP
3.48
TPSA
88.33
H-bond donors
1
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
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
101.06
Supplementary Information
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