SMILES:
COCc1cccc2nnsc12Molecular Processing
Molecular formula
C8H8N2OS
Molecular weight
180.23
Exact mass
180.0357
XLogP
1.84
TPSA
35.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
48.13
Supplementary Information
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