C[n+]1ccn(S(=O)(=O)n2ccnc2)c1
SMILES: C[n+]1ccn(S(=O)(=O)n2ccnc2)c1

Molecular Processing

Molecular formula
C7H9N4O2S+
Molecular weight
213.24
Exact mass
213.0441
XLogP
-0.85
TPSA
60.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
47.55

Supplementary Information

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