SMILES:
Nc1nc(Cl)cc(-c2cc(Br)ccc2OCc2ccccc2)n1Molecular Processing
Molecular formula
C17H13BrClN3O
Molecular weight
390.67
Exact mass
388.9931
XLogP
4.72
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
95.36
Supplementary Information
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