SMILES:
CCCNc1nc(C#N)c(C#N)nc1SCc1ccccc1Molecular Processing
Molecular formula
C16H15N5S
Molecular weight
309.4
Exact mass
309.1048
XLogP
3.33
TPSA
85.39
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
86.25
Supplementary Information
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