SMILES:
CCOC(CNN1NC=C(c2ncc([N+](=O)[O-])n2C)S1)OCCMolecular Processing
Molecular formula
C12H20N6O4S
Molecular weight
344.4
Exact mass
344.1267
XLogP
1
TPSA
106.72
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
85.45
Supplementary Information
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