Name: alcohol
SMILES:
COc1cc(Br)c(C(C)O)cc1OC(C)CMolecular Processing
Molecular formula
C12H17BrO3
Molecular weight
289.17
Exact mass
288.0361
XLogP
3.3
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
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
0.5
Molar refractivity
67.09
Supplementary Information
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Involved in 4 reactions→