Name: 5-(4-nitrophenyl)-2-pentanone
SMILES:
CC(=O)CCCc1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C11H13NO3
Molecular weight
207.23
Exact mass
207.0895
XLogP
2.51
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
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
0.364
Molar refractivity
56.72
Supplementary Information
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