SMILES:
CC(C)Oc1c(C(=O)Nc2nnn[nH]2)sc2c1CNCC2.ClMolecular Processing
Molecular formula
C12H17ClN6O2S
Molecular weight
344.83
Exact mass
344.0822
XLogP
1.37
TPSA
104.82
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
84.87
Supplementary Information
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