Name: 2-ethyl-6-nitrophenol
SMILES:
CCc1cccc([N+](=O)[O-])c1OMolecular Processing
Molecular formula
C8H9NO3
Molecular weight
167.16
Exact mass
167.0582
XLogP
1.86
TPSA
63.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
44.14
Supplementary Information
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