SMILES:
Nc1cc(C(=O)NC2CC2)[nH]n1Molecular Processing
Molecular formula
C7H10N4O
Molecular weight
166.18
Exact mass
166.0855
XLogP
-0.12
TPSA
83.8
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
43.49
Supplementary Information
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