SMILES:
Nc1nc(N)c(C(=O)NNC=NNC2=NCCS2)nc1ClMolecular Processing
Molecular formula
C9H12ClN9OS
Molecular weight
329.78
Exact mass
329.0574
XLogP
-0.84
TPSA
155.7
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
82.86
Supplementary Information
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