SMILES:
CC(=O)SCC(Cc1ccccc1)C(=O)ClMolecular Processing
Molecular formula
C12H13ClO2S
Molecular weight
256.75
Exact mass
256.0325
XLogP
2.89
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
67.64
Supplementary Information
Details werden geladen…
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