SMILES:
O=C(CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1nnn[nH]1Molecular Processing
Molecular formula
C14H12BrN7O3
Molecular weight
406.2
Exact mass
405.0185
XLogP
0.48
TPSA
138.42
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
91.31
Supplementary Information
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