SMILES:
c1cn2cncc2s1Molecular Processing
Molecular formula
C5H4N2S
Molecular weight
124.17
Exact mass
124.0095
XLogP
1.4
TPSA
17.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
33.07
Supplementary Information
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