Name: 2-(3-nitro-4-benzyloxyphenyl)glyoxylic acid
SMILES:
O=C(O)C(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C15H11NO6
Molecular weight
301.25
Exact mass
301.0586
XLogP
2.44
TPSA
106.74
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
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
0.067
Molar refractivity
75.84
Supplementary Information
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