SMILES:
CCOC(=O)C(Br)c1cccnc1Molecular Processing
Molecular formula
C9H10BrNO2
Molecular weight
244.09
Exact mass
242.9895
XLogP
2.08
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.54
Supplementary Information
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