SMILES:
CC(C)c1n[nH]c(-c2c(Cl)csc2N)n1Molecular Processing
Molecular formula
C9H11ClN4S
Molecular weight
242.74
Exact mass
242.0393
XLogP
2.89
TPSA
67.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.21
Supplementary Information
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