SMILES:
C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(-c4ccccn4)c23)c1Molecular Processing
Molecular formula
C21H17N5O
Molecular weight
355.4
Exact mass
355.1433
XLogP
4.2
TPSA
83.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
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
0.048
Molar refractivity
106
Supplementary Information
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