SMILES:
CCOCCOCc1cc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)nn1CMolecular Processing
Molecular formula
C28H28Cl2N4O3
Molecular weight
539.46
Exact mass
538.1538
XLogP
5.96
TPSA
63.21
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
149.47
Supplementary Information
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