Name: 3-((2-amino-4-chlorophenyl)thio)-1-(pyrrolidin-1-yl)propan-1-one
SMILES:
Nc1cc(Cl)ccc1SCCC(=O)N1CCCC1Molecular Processing
Molecular formula
C13H17ClN2OS
Molecular weight
284.81
Exact mass
284.075
XLogP
3.03
TPSA
46.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
77.02
Supplementary Information
Details werden geladen…
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