SMILES:
NC1=c2ccoc2=NCN1c1ccc(N)cc1Molecular Processing
Molecular formula
C12H12N4O
Molecular weight
228.25
Exact mass
228.1011
XLogP
-0.02
TPSA
80.78
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
65.28
Supplementary Information
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