SMILES:
ON=C1CCc2cc(Br)ccc2C1Molecular Processing
Molecular formula
C10H10BrNO
Molecular weight
240.1
Exact mass
238.9946
XLogP
2.77
TPSA
32.59
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
55.39
Supplementary Information
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