Nombre: 2-(6-carboxyhexyl)-3-nitromethyl-cyclopentan-1-one
SMILES:
O=C(O)CCCCCCC1C(=O)CCC1C[N+](=O)[O-]Molecular Processing
Molecular formula
C13H21NO5
Molecular weight
271.31
Exact mass
271.142
XLogP
2.28
TPSA
97.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
68.42
Supplementary Information
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