SMILES:
CNC(=NCCSCc1nc[nH]c1C)NC#NMolecular Processing
Molecular formula
C10H16N6S
Molecular weight
252.35
Exact mass
252.1157
XLogP
0.6
TPSA
88.89
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.6
Supplementary Information
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