SMILES:
Brc1ccc(OC2CCOC2)nc1Molecular Processing
Molecular formula
C9H10BrNO2
Molecular weight
244.09
Exact mass
242.9895
XLogP
2.01
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
51.79
Supplementary Information
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