SMILES:
CC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(O)(c2ccc(Br)cc2)C(F)(F)F)n1Molecular Processing
Molecular formula
C36H34BrF3N2O
Molecular weight
647.58
Exact mass
646.1807
XLogP
9.07
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
43
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
167.79
Supplementary Information
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