SMILES:
CC1c2cc(-c3cccnc3F)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1Molecular Processing
Molecular formula
C22H17BrFN5O
Molecular weight
466.31
Exact mass
465.0601
XLogP
4.45
TPSA
63.39
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
113.47
Supplementary Information
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