SMILES:
CC(=O)C1CCC2C3CCC4CC(O)C(O[N+](=O)[O-])CC4(C)C3C(=O)CC12CMolecular Processing
Molecular formula
C21H31NO6
Molecular weight
393.48
Exact mass
393.2151
XLogP
2.96
TPSA
106.74
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
99.55
Supplementary Information
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