SMILES:
COc1cc(Br)c(C(C)=O)cc1OC(C)CMolecular Processing
Molecular formula
C12H15BrO3
Molecular weight
287.15
Exact mass
286.0205
XLogP
3.45
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
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
0.417
Molar refractivity
66.46
Supplementary Information
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