CC(=O)c1ccc([N+](=O)[O-])cc1
名称: 1-(4-nitrophenyl)ethanone
SMILES: CC(=O)c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C8H7NO3
Molecular weight
165.15
Exact mass
165.0426
XLogP
1.8
TPSA
60.21
H-bond donors
0
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
0.125
Molar refractivity
43.1

Supplementary Information

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