SMILES:
Cc1ccc2nc(-c3cc(Br)c4c(c3)CCO4)c(NC3CCCCC3)n2c1Molecular Processing
Molecular formula
C22H24BrN3O
Molecular weight
426.36
Exact mass
425.1103
XLogP
5.75
TPSA
38.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
112.76
Supplementary Information
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