SMILES:
COc1n[nH]c2ncc(N)cc12Molecular Processing
Molecular formula
C7H8N4O
Molecular weight
164.17
Exact mass
164.0698
XLogP
0.55
TPSA
76.82
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
44.85
Supplementary Information
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