SMILES:
CC(c1ccc(NC=O)c(N)c1)n1ccnc1Molecular Processing
Molecular formula
C12H14N4O
Molecular weight
230.27
Exact mass
230.1168
XLogP
1.64
TPSA
72.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
66.58
Supplementary Information
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