名称: 9,10-dihydro-9-methyl4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
SMILES:
CC1Cc2sccc2C(=O)c2ccccc21Molecular Processing
Molecular formula
C14H12OS
Molecular weight
228.32
Exact mass
228.0609
XLogP
3.64
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
66.31
Supplementary Information
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