SMILES:
Cc1cn(CC2OCCO2)c(=N)s1Molecular Processing
Molecular formula
C8H12N2O2S
Molecular weight
200.26
Exact mass
200.0619
XLogP
0.71
TPSA
47.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
48.59
Supplementary Information
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