SMILES:
Cn1cnc2cccc(O)c21Molecular Processing
Molecular formula
C8H8N2O
Molecular weight
148.16
Exact mass
148.0637
XLogP
1.28
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
42.38
Supplementary Information
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