SMILES:
Cn1cnc(-c2ccccc2)c1-c1nc(C#N)c(N)o1Molecular Processing
Molecular formula
C14H11N5O
Molecular weight
265.28
Exact mass
265.0964
XLogP
2.2
TPSA
93.66
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
73.27
Supplementary Information
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