SMILES:
CCOC(=O)Cc1cncc(Br)c1Molecular Processing
Molecular formula
C9H10BrNO2
Molecular weight
244.09
Exact mass
242.9895
XLogP
1.95
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
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.27
Supplementary Information
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