Name: 2-(2-nitrophenyl)chroman-4,6-diol
SMILES:
O=[N+]([O-])c1ccccc1C1CC(O)c2cc(O)ccc2O1Molecular Processing
Molecular formula
C15H13NO5
Molecular weight
287.27
Exact mass
287.0794
XLogP
2.86
TPSA
92.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
74.15
Supplementary Information
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