SMILES:
CCCNc1cc(C)nc(N)n1Molecular Processing
Molecular formula
C8H14N4
Molecular weight
166.23
Exact mass
166.1218
XLogP
1.19
TPSA
63.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
49.96
Supplementary Information
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