SMILES:
COC(=O)CCCC=CCC1C(=O)C(O)CC1C=CC(O)CCc1sc2ccccc2c1ClMolecular Processing
Molecular formula
C26H31ClO5S
Molecular weight
491.05
Exact mass
490.1581
XLogP
5.26
TPSA
83.83
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
132.54
Supplementary Information
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