SMILES:
O=C(O)c1nc2c(N3CCOCC3)nc(Cl)nc2s1Molecular Processing
Molecular formula
C10H9ClN4O3S
Molecular weight
300.73
Exact mass
300.0084
XLogP
1.27
TPSA
88.44
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
70.21
Supplementary Information
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