이름: rac-2-[(benzo[b]thiophen-3-yl)ethynyl]-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-6ol
SMILES:
Cc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1csc3ccccc13)O2Molecular Processing
Molecular formula
C23H22O2S
Molecular weight
362.49
Exact mass
362.1341
XLogP
5.67
TPSA
29.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
108.37
Supplementary Information
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