SMILES:
Cc1c2cc(-n3ccc(OCc4ccc(Br)cn4)cc3=O)ccc2nn1C1CC1Molecular Processing
Molecular formula
C22H19BrN4O2
Molecular weight
451.32
Exact mass
450.0691
XLogP
4.57
TPSA
61.94
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
114.61
Supplementary Information
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