SMILES:
COCCNCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(Br)ccc12Molecular Processing
Molecular formula
C19H16BrCl2NO3
Molecular weight
457.15
Exact mass
454.9691
XLogP
5.47
TPSA
51.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
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
0.211
Molar refractivity
107.39
Supplementary Information
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