SMILES:
Cc1ccc2nc(-c3cc(Br)cc(Br)c3N)c(NC3CCCCC3)n2c1Molecular Processing
Molecular formula
C20H22Br2N4
Molecular weight
478.23
Exact mass
476.0211
XLogP
6.16
TPSA
55.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
115.67
Supplementary Information
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