Name: 5-(2-Methoxy-benzoyl)-5,6-dihydro-cyclopenta[b]thiophen-4-one
SMILES:
COc1ccccc1C(=O)C1Cc2sccc2C1=OMolecular Processing
Molecular formula
C15H12O3S
Molecular weight
272.32
Exact mass
272.0507
XLogP
2.99
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
73.17
Supplementary Information
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