SMILES:
CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCCC(=O)O)cc2)nc(N)n1Molecular Processing
Molecular formula
C22H23ClN4O3
Molecular weight
426.9
Exact mass
426.1459
XLogP
4.93
TPSA
110.36
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
118.36
Supplementary Information
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