SMILES:
Nc1nc(Nc2ccc(CCO)cc2)cc(-c2cc(Cl)ccc2OCc2ccccc2)n1Molecular Processing
Molecular formula
C25H23ClN4O2
Molecular weight
446.94
Exact mass
446.151
XLogP
5.24
TPSA
93.29
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
128.18
Supplementary Information
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