SMILES:
CC(C)N1CC2(COc3ccc([N+](=O)[O-])cc3OC2)OC1=OMolecular Processing
Molecular formula
C14H16N2O6
Molecular weight
308.29
Exact mass
308.1008
XLogP
1.97
TPSA
91.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.14
Supplementary Information
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