SMILES:
Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(Cl)c1BrMolecular Processing
Molecular formula
C20H13BrClN5O
Molecular weight
454.72
Exact mass
452.9992
XLogP
5.79
TPSA
94.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
109.89
Supplementary Information
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