SMILES:
COc1cc(Br)cnc1C1CC1Molecular Processing
Molecular formula
C9H10BrNO
Molecular weight
228.09
Exact mass
226.9946
XLogP
2.73
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
50.46
Supplementary Information
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