SMILES:
O=C(c1cnc2c(Br)cnn2c1NCc1ccccc1)N1CCC2(CC1)COc1cc(F)ccc12Molecular Processing
Molecular formula
C26H23BrFN5O2
Molecular weight
536.41
Exact mass
535.1019
XLogP
4.81
TPSA
71.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
133.17
Supplementary Information
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