SMILES:
Cn1cccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Br)cnc2[nH]1Molecular Processing
Molecular formula
C19H19BrN6O
Molecular weight
427.31
Exact mass
426.0804
XLogP
2.81
TPSA
101.62
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
106.83
Supplementary Information
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