SMILES:
CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2cc(C(=O)O)sc2c1Molecular Processing
Molecular formula
C27H32O4S
Molecular weight
452.62
Exact mass
452.2021
XLogP
7.01
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
131.28
Supplementary Information
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