SMILES:
COc1cc(Nc2c(C#N)cnc3cc(Br)ccc23)c(Cl)cc1ClMolecular Processing
Molecular formula
C17H10BrCl2N3O
Molecular weight
423.1
Exact mass
420.9384
XLogP
5.93
TPSA
57.94
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
100.45
Supplementary Information
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