SMILES:
CC(C)N1CCC(c2ccc(Br)cn2)CC1Molecular Processing
Molecular formula
C13H19BrN2
Molecular weight
283.21
Exact mass
282.0732
XLogP
3.43
TPSA
16.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
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
0.615
Molar refractivity
70.62
Supplementary Information
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