SMILES:
CNC(=O)ON=C(C#N)C1=NCCN1CMolecular Processing
Molecular formula
C8H11N5O2
Molecular weight
209.21
Exact mass
209.0913
XLogP
-0.43
TPSA
90.08
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
53.52
Supplementary Information
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