Name: 2-(4-fluorophenyl)-5-methoxybenzo[b]thiophene-3-carboxylic acid
SMILES:
COc1ccc2sc(-c3ccc(F)cc3)c(C(=O)O)c2c1Molecular Processing
Molecular formula
C16H11FO3S
Molecular weight
302.33
Exact mass
302.0413
XLogP
4.41
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
80.73
Supplementary Information
Details werden geladen…
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