SMILES:
COc1ccc(-c2nn(-c3ccccc3)c3c2C(c2ccccc2)C(C#N)=C(N)O3)cc1Molecular Processing
Molecular formula
C26H20N4O2
Molecular weight
420.47
Exact mass
420.1586
XLogP
4.77
TPSA
86.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
121.29
Supplementary Information
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