CCC(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N1
SMILES: CCC(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N1

Molecular Processing

Molecular formula
C11H14N4O4S
Molecular weight
298.32
Exact mass
298.0736
XLogP
1.45
TPSA
113.7
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
74.23

Supplementary Information

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