SMILES:
CNC(=NCCSCc1ncccn1)NC#NMolecular Processing
Molecular formula
C10H14N6S
Molecular weight
250.33
Exact mass
250.1001
XLogP
0.36
TPSA
85.99
H-bond donors
2
H-bond acceptors
5
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
0.4
Molar refractivity
68.3
Supplementary Information
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