SMILES:
CCOC(=O)Cc1cnc(Br)nc1Molecular Processing
Molecular formula
C8H9BrN2O2
Molecular weight
245.08
Exact mass
243.9847
XLogP
1.34
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
50.07
Supplementary Information
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