SMILES:
CC(C)NCCSc1ccc(Cl)c(Cl)c1.ClMolecular Processing
Molecular formula
C11H16Cl3NS
Molecular weight
300.68
Exact mass
299.0069
XLogP
4.51
TPSA
12.03
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
77.57
Supplementary Information
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