SMILES:
c1cnc2[nH]cc(-c3csc(NC4CC4)n3)c2c1Molecular Processing
Molecular formula
C13H12N4S
Molecular weight
256.33
Exact mass
256.0783
XLogP
3.26
TPSA
53.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
73.85
Supplementary Information
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