SMILES:
OC1COCC1Oc1ccc(Br)cc1Molecular Processing
Molecular formula
C10H11BrO3
Molecular weight
259.1
Exact mass
257.9892
XLogP
1.59
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
55.38
Supplementary Information
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