SMILES:
CCOC(=O)C1=C(c2ccccc2)OC2(N3CCOCC3)CCCCC2C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C28H32N2O6
Molecular weight
492.57
Exact mass
492.226
XLogP
4.9
TPSA
91.14
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
134
Supplementary Information
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