Nom: 4-nitrobenzylphosphonic acid
SMILES:
O=[N+]([O-])c1ccc(CP(=O)(O)O)cc1Molecular Processing
Molecular formula
C7H8NO5P
Molecular weight
217.12
Exact mass
217.014
XLogP
1.27
TPSA
100.67
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
48.84
Supplementary Information
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