SMILES:
Cc1sc(-c2ccc(C(=O)O)cc2)cc1C1C(=O)C2CCC(C2)C1=OMolecular Processing
Molecular formula
C20H18O4S
Molecular weight
354.43
Exact mass
354.0926
XLogP
4.07
TPSA
71.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
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
0.35
Molar refractivity
95.04
Supplementary Information
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