SMILES:
CNC(=NCCCSCc1ncccn1)NC#NMolecular Processing
Molecular formula
C11H16N6S
Molecular weight
264.36
Exact mass
264.1157
XLogP
0.75
TPSA
85.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
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
0.455
Molar refractivity
72.92
Supplementary Information
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