SMILES:
COc1cc(C(C)O)cc(Br)c1OCMolecular Processing
Molecular formula
C10H13BrO3
Molecular weight
261.11
Exact mass
260.0048
XLogP
2.52
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
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
57.88
Supplementary Information
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