名称: title compound
SMILES:
C=CCn1c(O)nnc1Sc1ncc([N+](=O)[O-])s1Molecular Processing
Molecular formula
C8H7N5O3S2
Molecular weight
285.31
Exact mass
284.999
XLogP
1.69
TPSA
106.97
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
64.78
Supplementary Information
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