Name: 5-(2-Bromo-benzoyl)-5,6-dihydro-cyclopenta[b]thiophen-4-one
SMILES:
O=C(c1ccccc1Br)C1Cc2sccc2C1=OMolecular Processing
Molecular formula
C14H9BrO2S
Molecular weight
321.2
Exact mass
319.9507
XLogP
3.75
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
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
0.143
Molar refractivity
74.32
Supplementary Information
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