SMILES:
CN1Cc2c(C(N)=O)ncn2-c2ccccc2C1=OMolecular Processing
Molecular formula
C13H12N4O2
Molecular weight
256.27
Exact mass
256.096
XLogP
0.56
TPSA
81.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
67.88
Supplementary Information
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