Name: 4-(3-carboxyphenoxy)-1-nitrobenzene
SMILES:
O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1Molecular Processing
Molecular formula
C13H9NO5
Molecular weight
259.22
Exact mass
259.0481
XLogP
3.09
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
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
Molar refractivity
66.57
Supplementary Information
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