SMILES:
O=Cc1ccc(-n2ccnc2)cc1Molecular Processing
Molecular formula
C10H8N2O
Molecular weight
172.19
Exact mass
172.0637
XLogP
1.68
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
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
Molar refractivity
48.95
Supplementary Information
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