SMILES:
CN1Cc2c(C=O)ncn2-c2ccccc2C1=OMolecular Processing
Molecular formula
C13H11N3O2
Molecular weight
241.25
Exact mass
241.0851
XLogP
1.27
TPSA
55.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
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
64.75
Supplementary Information
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