CCOC(=O)CNCCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1
SMILES: CCOC(=O)CNCCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1

Molecular Processing

Molecular formula
C14H16ClN5O6S2
Molecular weight
449.9
Exact mass
449.0231
XLogP
1.2
TPSA
153.42
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
101.7

Supplementary Information

Details werden geladen…

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