SMILES:
CCOC(=O)c1cc2c(Cl)nc(N)nc2s1Molecular Processing
Molecular formula
C9H8ClN3O2S
Molecular weight
257.7
Exact mass
257.0026
XLogP
2.1
TPSA
78.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
62.79
Supplementary Information
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