SMILES:
N#CC1CN1C(=O)NC(=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C12H9N3O4
Molecular weight
259.22
Exact mass
259.0593
XLogP
0.47
TPSA
91.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.53
Supplementary Information
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