COC(=O)C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C
SMILES: COC(=O)C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C15H21N3O8S
Molecular weight
403.41
Exact mass
403.1049
XLogP
0.94
TPSA
153.94
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
93.46

Supplementary Information

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