SMILES:
CN1CCN(C2=Nc3cc(Br)ccc3N3CCCc4cccc2c43)CC1Molecular Processing
Molecular formula
C21H23BrN4
Molecular weight
411.35
Exact mass
410.1106
XLogP
4.17
TPSA
22.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
111.18
Supplementary Information
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