SMILES:
CC(C)C(CO)Nc1nc(Cl)nc2c1SCC2Molecular Processing
Molecular formula
C11H16ClN3OS
Molecular weight
273.79
Exact mass
273.0703
XLogP
2.21
TPSA
58.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
70.8
Supplementary Information
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