SMILES:
CCOC(=O)Cn1ccnc(Br)c1=OMolecular Processing
Molecular formula
C8H9BrN2O3
Molecular weight
261.07
Exact mass
259.9797
XLogP
0.57
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
52.83
Supplementary Information
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