SMILES:
O=C(O)CNC(=O)c1cn(-c2ccccc2)cn1Molecular Processing
Molecular formula
C12H11N3O3
Molecular weight
245.24
Exact mass
245.08
XLogP
0.69
TPSA
84.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
63.53
Supplementary Information
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