SMILES:
CCSc1nc(-c2cccc([N+](=O)[O-])c2C)nnc1NMolecular Processing
Molecular formula
C12H13N5O2S
Molecular weight
291.34
Exact mass
291.079
XLogP
2.45
TPSA
107.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
77.46
Supplementary Information
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