SMILES:
c1cnc(C2CCNC2)cn1Molecular Processing
Molecular formula
C8H11N3
Molecular weight
149.2
Exact mass
149.0953
XLogP
0.55
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
42.26
Supplementary Information
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