SMILES:
OCc1ccc(CCBr)cc1Molecular Processing
Molecular formula
C9H11BrO
Molecular weight
215.09
Exact mass
213.9993
XLogP
2.12
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
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
0.333
Molar refractivity
49.86
Supplementary Information
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