CS(=O)(=O)O.O.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1c[nH]c2ccccc12
SMILES: CS(=O)(=O)O.O.O=C(OC1CC2CC3CC(C1)N2CC3=O)c1c[nH]c2ccccc12

Molecular Processing

Molecular formula
C20H26N2O7S
Molecular weight
438.5
Exact mass
438.1461
XLogP
1.2
TPSA
148.27
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.5
Molar refractivity
109.84

Supplementary Information

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