SMILES:
CCc1cc(Br)ccc1OMolecular Processing
Molecular formula
C8H9BrO
Molecular weight
201.06
Exact mass
199.9837
XLogP
2.72
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.18
Supplementary Information
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