SMILES:
BrCCCCCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1Molecular Processing
Molecular formula
C22H24BrN3
Molecular weight
410.36
Exact mass
409.1154
XLogP
6.09
TPSA
38.67
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
111.28
Supplementary Information
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