SMILES:
Cc1cc(Nc2c(C#N)cnc3cc(Br)ccc23)ccc1OCc1ccccn1Molecular Processing
Molecular formula
C23H17BrN4O
Molecular weight
445.32
Exact mass
444.0586
XLogP
5.9
TPSA
70.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
117.19
Supplementary Information
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