이름: compound
SMILES:
CSCc1cccc2c(C(c3ccc4c(c3)OC(F)(F)O4)C3C(=O)OC(C)(C)OC3=O)c[nH]c12Molecular Processing
Molecular formula
C24H21F2NO6S
Molecular weight
489.5
Exact mass
489.1058
XLogP
4.94
TPSA
86.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
119.76
Supplementary Information
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