Cn1c([N+](=O)[O-])cnc1C1=CNN(NCCO)S1
SMILES: Cn1c([N+](=O)[O-])cnc1C1=CNN(NCCO)S1

Molecular Processing

Molecular formula
C8H12N6O3S
Molecular weight
272.29
Exact mass
272.0692
XLogP
-0.41
TPSA
108.49
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
65.49

Supplementary Information

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