SMILES:
Cc1oc(-c2ccc(Br)cc2)nc1CCIMolecular Processing
Molecular formula
C12H11BrINO
Molecular weight
392.03
Exact mass
390.9069
XLogP
4.39
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
76.97
Supplementary Information
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