Name: Intermediate 1
SMILES:
O=C1NCCn2c1nnc2-c1cnccn1Molecular Processing
Molecular formula
C9H8N6O
Molecular weight
216.2
Exact mass
216.076
XLogP
-0.52
TPSA
85.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
53.38
Supplementary Information
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