SMILES:
O=Cc1ccnc(Nc2ccccc2)n1Molecular Processing
Molecular formula
C11H9N3O
Molecular weight
199.21
Exact mass
199.0746
XLogP
2.03
TPSA
54.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
57.14
Supplementary Information
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