SMILES:
Clc1ccc(-c2nc(COc3ccc(CCCn4ccnc4)cc3)co2)cc1Molecular Processing
Molecular formula
C22H20ClN3O2
Molecular weight
393.87
Exact mass
393.1244
XLogP
5.4
TPSA
53.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
108.27
Supplementary Information
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