SMILES:
O=c1[nH]c2ncccc2n1C1CCNCC1Molecular Processing
Molecular formula
C11H14N4O
Molecular weight
218.26
Exact mass
218.1168
XLogP
0.65
TPSA
62.71
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
61.49
Supplementary Information
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