SMILES:
O=C(OCc1cccc2ccccc12)Oc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C18H13NO5
Molecular weight
323.3
Exact mass
323.0794
XLogP
4.46
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
87.86
Supplementary Information
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