SMILES:
O=c1n(CO)c2cccnc2n1-c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C14H11N3O4
Molecular weight
285.26
Exact mass
285.075
XLogP
0.87
TPSA
78.51
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
73.67
Supplementary Information
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