이름: Cycloheptanone O-(4-nitro-phenyl)-oxime
SMILES:
O=[N+]([O-])c1ccc(ON=C2CCCCCC2)cc1Molecular Processing
Molecular formula
C13H16N2O3
Molecular weight
248.28
Exact mass
248.1161
XLogP
3.68
TPSA
64.73
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.86
Supplementary Information
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