Name: ( 2 )
SMILES:
CC(=O)Sc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2Molecular Processing
Molecular formula
C17H18Cl2O2S
Molecular weight
357.3
Exact mass
356.0405
XLogP
5.57
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
91.1
Supplementary Information
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