SMILES:
CC(O)(CO)COc1ccc(Br)cc1Molecular Processing
Molecular formula
C10H13BrO3
Molecular weight
261.12
Exact mass
260.0048
XLogP
1.57
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
14
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
0.4
Molar refractivity
57.35
Supplementary Information
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