SMILES:
CN1Cc2c(C#N)ncn2-c2ccccc2C1=OMolecular Processing
Molecular formula
C13H10N4O
Molecular weight
238.25
Exact mass
238.0855
XLogP
1.33
TPSA
61.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
64.08
Supplementary Information
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