SMILES:
Clc1ccc(Br)c2c1CNCC2Molecular Processing
Molecular formula
C9H9BrClN
Molecular weight
246.53
Exact mass
244.9607
XLogP
2.75
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
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
0.333
Molar refractivity
54.56
Supplementary Information
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