이름: 4-fluorophenyl 2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl ketone
SMILES:
O=C(c1ccc(F)cc1)c1c(-c2ccc(OCCN3CCCC3)cc2)sc2ccccc12Molecular Processing
Molecular formula
C27H24FNO2S
Molecular weight
445.56
Exact mass
445.1512
XLogP
6.41
TPSA
29.54
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
128.26
Supplementary Information
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