이름: 2-(2-Chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dione
SMILES:
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1Molecular Processing
Molecular formula
C14H13ClO5S
Molecular weight
328.77
Exact mass
328.0172
XLogP
1.86
TPSA
85.35
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
76.25
Supplementary Information
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