SMILES:
CCc1nn(Cc2cccc(OCC(O)CO)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.ClMolecular Processing
Molecular formula
C26H28Cl2N6O4
Molecular weight
559.45
Exact mass
558.1549
XLogP
3.52
TPSA
126.8
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
3
Fraction Csp3
0.231
Molar refractivity
148.68
Supplementary Information
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