이름: 2-(4-Methoxy-phenoxy)-5-nitro-benzoic acid
SMILES:
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)O)cc1Molecular Processing
Molecular formula
C14H11NO6
Molecular weight
289.24
Exact mass
289.0586
XLogP
3.09
TPSA
98.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
73.12
Supplementary Information
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