COC(=O)c1ccc(-c2cc(C3C(=O)C4CCC(C4)C3=O)c(C)s2)cc1
SMILES: COC(=O)c1ccc(-c2cc(C3C(=O)C4CCC(C4)C3=O)c(C)s2)cc1

Molecular Processing

Molecular formula
C21H20O4S
Molecular weight
368.45
Exact mass
368.1082
XLogP
4.16
TPSA
60.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
99.42

Supplementary Information

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