SMILES:
CCCCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C15H21NO4
Molecular weight
279.34
Exact mass
279.1471
XLogP
4.11
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
76.73
Supplementary Information
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