SMILES:
CC1CCN(C2=Nc3cc(Br)ccc3N3CCc4cccc2c43)CC1Molecular Processing
Molecular formula
C21H22BrN3
Molecular weight
396.33
Exact mass
395.0997
XLogP
5.27
TPSA
18.84
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
25
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
107.46
Supplementary Information
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