이름: 2-toluenesulfonyl-2-phenyl-1,3-indandione
SMILES:
Cc1ccccc1S(=O)(=O)C1(c2ccccc2)C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C22H16O4S
Molecular weight
376.43
Exact mass
376.0769
XLogP
3.74
TPSA
68.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
101.59
Supplementary Information
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