이름: 2-(1-benzo[b]thiophen-2-yl-1-methylethyl)-4-methoxy-benzoic acid
SMILES:
COc1ccc(C(=O)O)c(C(C)(C)c2cc3ccccc3s2)c1Molecular Processing
Molecular formula
C19H18O3S
Molecular weight
326.42
Exact mass
326.0977
XLogP
4.93
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
93.91
Supplementary Information
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