SMILES:
COc1ccc(-c2nc(NC(C)=O)n3nc(-c4ccco4)nc3n2)cc1Molecular Processing
Molecular formula
C17H14N6O3
Molecular weight
350.34
Exact mass
350.1127
XLogP
2.41
TPSA
107.44
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
92.57
Supplementary Information
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