O=C(OCc1ccccc1)N1CCC(COc2ccc([N+](=O)[O-])c(CS(=O)(=O)c3cccc4ccccc34)c2)CC1
SMILES: O=C(OCc1ccccc1)N1CCC(COc2ccc([N+](=O)[O-])c(CS(=O)(=O)c3cccc4ccccc34)c2)CC1

Molecular Processing

Molecular formula
C31H30N2O7S
Molecular weight
574.66
Exact mass
574.1774
XLogP
6.15
TPSA
116.05
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
154.35

Supplementary Information

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