이름: Compound 2
SMILES:
O=[N+]([O-])c1cnc(Sc2cncc[n+]2[O-])s1Molecular Processing
Molecular formula
C7H4N4O3S2
Molecular weight
256.27
Exact mass
255.9725
XLogP
1.23
TPSA
95.86
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
56.09
Supplementary Information
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