SMILES:
CCNc1nc(C)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1Molecular Processing
Molecular formula
C16H16N6O2S
Molecular weight
356.41
Exact mass
356.1055
XLogP
3.99
TPSA
105.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
98.42
Supplementary Information
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