SMILES:
Cc1nc(-c2ccc(C=O)cc2)c2cnc3[nH]ccc3n12Molecular Processing
Molecular formula
C16H12N4O
Molecular weight
276.3
Exact mass
276.1011
XLogP
3
TPSA
63.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
80.4
Supplementary Information
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