SMILES:
Cc1cc(N)nc(C)n1Molecular Processing
Molecular formula
C6H9N3
Molecular weight
123.16
Exact mass
123.0796
XLogP
0.68
TPSA
51.8
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
35.92
Supplementary Information
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