SMILES:
Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Br)ccc2OCCN2CCOCC2)n1Molecular Processing
Molecular formula
C22H23BrClN5O2
Molecular weight
504.82
Exact mass
503.0724
XLogP
4.6
TPSA
85.53
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
127.07
Supplementary Information
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