SMILES:
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2sccc2c1Molecular Processing
Molecular formula
C22H23NO3S
Molecular weight
381.5
Exact mass
381.1399
XLogP
5.17
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
108.51
Supplementary Information
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