SMILES:
Cn1cc(-c2ccc3c(c2)CCC3=NOCc2ccccc2)c(-c2ccncc2)n1Molecular Processing
Molecular formula
C25H22N4O
Molecular weight
394.48
Exact mass
394.1794
XLogP
5.02
TPSA
52.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
117.96
Supplementary Information
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