SMILES:
CCOCC(=O)Nc1cnc2cc(Br)ccc2c1NCCCCCl.ClMolecular Processing
Molecular formula
C17H22BrCl2N3O2
Molecular weight
451.19
Exact mass
449.0272
XLogP
4.83
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.412
Molar refractivity
110.26
Supplementary Information
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