SMILES:
CCCCCN1C(=O)C2CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=OMolecular Processing
Molecular formula
C17H20N2O4
Molecular weight
316.36
Exact mass
316.1423
XLogP
2.8
TPSA
80.52
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
83.74
Supplementary Information
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